PubChemLite - Chembl39402 (C20H23FN4O4)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CN(C=C2)C3=CC(=C(C=C3)N4CCOCC4)F

InChI

InChI=1S/C20H23FN4O4/c1-14(26)22-11-17-13-25(20(27)29-17)16-4-5-24(12-16)15-2-3-19(18(21)10-15)23-6-8-28-9-7-23/h2-5,10,12,17H,6-9,11,13H2,1H3,(H,22,26)/t17-/m0/s1

InChIKey

ONOIRRVLIDPLKT-KRWDZBQOSA-N

Compound name

N-[[(5S)-3-[1-(3-fluoro-4-morpholin-4-ylphenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

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]+	403.17760	194.8
[M+Na]+	425.15954	199.6
[M-H]-	401.16304	203.6
[M+NH4]+	420.20414	201.4
[M+K]+	441.13348	197.2
[M+H-H2O]+	385.16758	183.8
[M+HCOO]-	447.16852	208.3
[M+CH3COO]-	461.18417	202.9
[M+Na-2H]-	423.14499	189.9
[M]+	402.16977	192.0
[M]-	402.17087	192.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.17760

194.8

[M+Na]+

425.15954

199.6

[M-H]-

401.16304

203.6

[M+NH4]+

420.20414

201.4

[M+K]+

441.13348

197.2

[M+H-H2O]+

385.16758

183.8

[M+HCOO]-

447.16852

208.3

[M+CH3COO]-

461.18417

202.9

[M+Na-2H]-

423.14499

189.9

[M]+

402.16977

192.0

[M]-

402.17087

192.0

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

Chembl39402

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe