PubChemLite - 4-morpholinepropanethioamide, n-[[(5s)-3-[4-(1h-1,2,3-benzotriazol-1-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]- (C23H25FN6O3S)

Structural Information

Molecular Formula

SMILES

C1COCCN1CCC(=S)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4C5=CC=CC=C5N=N4)F

InChI

InChI=1S/C23H25FN6O3S/c24-18-13-16(5-6-20(18)30-21-4-2-1-3-19(21)26-27-30)29-15-17(33-23(29)31)14-25-22(34)7-8-28-9-11-32-12-10-28/h1-6,13,17H,7-12,14-15H2,(H,25,34)/t17-/m0/s1

InChIKey

QCEJQMZQUSDGDN-KRWDZBQOSA-N

Compound name

N-[[(5S)-3-[4-(benzotriazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-morpholin-4-ylpropanethioamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	485.17656	212.0
[M+Na]+	507.15850	219.1
[M-H]-	483.16200	219.5
[M+NH4]+	502.20310	214.6
[M+K]+	523.13244	214.0
[M+H-H2O]+	467.16654	201.0
[M+HCOO]-	529.16748	218.9
[M+CH3COO]-	543.18313	218.4
[M+Na-2H]-	505.14395	206.5
[M]+	484.16873	212.6
[M]-	484.16983	212.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.17656

212.0

[M+Na]+

507.15850

219.1

[M-H]-

483.16200

219.5

[M+NH4]+

502.20310

214.6

[M+K]+

523.13244

214.0

[M+H-H2O]+

467.16654

201.0

[M+HCOO]-

529.16748

218.9

[M+CH3COO]-

543.18313

218.4

[M+Na-2H]-

505.14395

206.5

[M]+

484.16873

212.6

[M]-

484.16983

212.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4-morpholinepropanethioamide, n-[[(5s)-3-[4-(1h-1,2,3-benzotriazol-1-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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