PubChemLite - Vrc3666 (C19H19FN4O6)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(O3)/C=N/OC)F

InChI

InChI=1S/C19H19FN4O6/c1-11(25)21-8-14-10-24(19(27)30-14)12-3-5-16(15(20)7-12)23-18(26)17-6-4-13(29-17)9-22-28-2/h3-7,9,14H,8,10H2,1-2H3,(H,21,25)(H,23,26)/b22-9+/t14-/m0/s1

InChIKey

AZNCTXABRWIOSW-DKNGMTOASA-N

Compound name

N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-methoxyiminomethyl]furan-2-carboxamide

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]+	419.13616	196.8
[M+Na]+	441.11810	202.1
[M-H]-	417.12160	207.4
[M+NH4]+	436.16270	205.8
[M+K]+	457.09204	201.9
[M+H-H2O]+	401.12614	187.3
[M+HCOO]-	463.12708	219.5
[M+CH3COO]-	477.14273	233.0
[M+Na-2H]-	439.10355	195.3
[M]+	418.12833	200.4
[M]-	418.12943	200.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.13616

196.8

[M+Na]+

441.11810

202.1

[M-H]-

417.12160

207.4

[M+NH4]+

436.16270

205.8

[M+K]+

457.09204

201.9

[M+H-H2O]+

401.12614

187.3

[M+HCOO]-

463.12708

219.5

[M+CH3COO]-

477.14273

233.0

[M+Na-2H]-

439.10355

195.3

[M]+

418.12833

200.4

[M]-

418.12943

200.4

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

Vrc3666

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe