PubChemLite - Chembl363274 (C19H22F2N4O5)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C(=C2)F)N3C[C@@H]4[C@H](C3)C4NC(=O)CO)F

InChI

InChI=1S/C19H22F2N4O5/c1-9(27)22-4-11-5-25(19(29)30-11)10-2-14(20)18(15(21)3-10)24-6-12-13(7-24)17(12)23-16(28)8-26/h2-3,11-13,17,26H,4-8H2,1H3,(H,22,27)(H,23,28)/t11-,12-,13+,17?/m0/s1

InChIKey

JRESRMYRDCOEOI-PRCBLGNRSA-N

Compound name

N-[(1R,5S)-3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxyacetamide

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]+	425.16310	192.1
[M+Na]+	447.14504	200.0
[M-H]-	423.14854	197.9
[M+NH4]+	442.18964	197.2
[M+K]+	463.11898	194.0
[M+H-H2O]+	407.15308	184.2
[M+HCOO]-	469.15402	205.9
[M+CH3COO]-	483.16967	231.9
[M+Na-2H]-	445.13049	187.2
[M]+	424.15527	193.5
[M]-	424.15637	193.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.16310

192.1

[M+Na]+

447.14504

200.0

[M-H]-

423.14854

197.9

[M+NH4]+

442.18964

197.2

[M+K]+

463.11898

194.0

[M+H-H2O]+

407.15308

184.2

[M+HCOO]-

469.15402

205.9

[M+CH3COO]-

483.16967

231.9

[M+Na-2H]-

445.13049

187.2

[M]+

424.15527

193.5

[M]-

424.15637

193.5

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

Chembl363274

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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