PubChemLite - Rwj-416457 (C18H20FN5O3)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CC4=CN(N=C4C3)C)F

InChI

InChI=1S/C18H20FN5O3/c1-11(25)20-6-14-9-24(18(26)27-14)13-3-4-17(15(19)5-13)23-8-12-7-22(2)21-16(12)10-23/h3-5,7,14H,6,8-10H2,1-2H3,(H,20,25)/t14-/m0/s1

InChIKey

UCBHICFFJKDMMR-AWEZNQCLSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-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]+	374.16231	186.8
[M+Na]+	396.14425	195.1
[M-H]-	372.14775	193.4
[M+NH4]+	391.18885	198.4
[M+K]+	412.11819	191.8
[M+H-H2O]+	356.15229	177.5
[M+HCOO]-	418.15323	202.8
[M+CH3COO]-	432.16888	196.5
[M+Na-2H]-	394.12970	181.5
[M]+	373.15448	187.5
[M]-	373.15558	187.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

374.16231

186.8

[M+Na]+

396.14425

195.1

[M-H]-

372.14775

193.4

[M+NH4]+

391.18885

198.4

[M+K]+

412.11819

191.8

[M+H-H2O]+

356.15229

177.5

[M+HCOO]-

418.15323

202.8

[M+CH3COO]-

432.16888

196.5

[M+Na-2H]-

394.12970

181.5

[M]+

373.15448

187.5

[M]-

373.15558

187.5

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

Rwj-416457

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe