PubChemLite - Antibacterial compound 2 (C22H30FN5O6)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)COC(=O)CN(C)C)F

InChI

InChI=1S/C22H30FN5O6/c1-15(29)24-11-17-12-28(22(32)34-17)16-4-5-19(18(23)10-16)26-6-8-27(9-7-26)20(30)14-33-21(31)13-25(2)3/h4-5,10,17H,6-9,11-14H2,1-3H3,(H,24,29)/t17-/m0/s1

InChIKey

QCJUVAWBUTUUML-KRWDZBQOSA-N

Compound name

[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] 2-(dimethylamino)acetate

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]+	480.22530	212.9
[M+Na]+	502.20724	214.5
[M-H]-	478.21074	218.5
[M+NH4]+	497.25184	216.1
[M+K]+	518.18118	214.0
[M+H-H2O]+	462.21528	201.1
[M+HCOO]-	524.21622	225.0
[M+CH3COO]-	538.23187	244.7
[M+Na-2H]-	500.19269	206.5
[M]+	479.21747	212.6
[M]-	479.21857	212.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.22530

212.9

[M+Na]+

502.20724

214.5

[M-H]-

478.21074

218.5

[M+NH4]+

497.25184

216.1

[M+K]+

518.18118

214.0

[M+H-H2O]+

462.21528

201.1

[M+HCOO]-

524.21622

225.0

[M+CH3COO]-

538.23187

244.7

[M+Na-2H]-

500.19269

206.5

[M]+

479.21747

212.6

[M]-

479.21857

212.6

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

Antibacterial compound 2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe