PubChemLite - Pf-03382792 (C23H32FN3O4)

Structural Information

Molecular Formula

SMILES

CC1(C2=C(C=C(C=C2)F)N(C1=O)C(=O)NCC3CCN(CC3)CC4(CCOCC4)O)C

InChI

InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)

InChIKey

AGMOFKKOVMRGAK-UHFFFAOYSA-N

Compound name

6-fluoro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-3,3-dimethyl-2-oxoindole-1-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]+	434.24495	204.7
[M+Na]+	456.22689	208.3
[M-H]-	432.23039	209.1
[M+NH4]+	451.27149	215.5
[M+K]+	472.20083	204.6
[M+H-H2O]+	416.23493	194.5
[M+HCOO]-	478.23587	212.6
[M+CH3COO]-	492.25152	227.7
[M+Na-2H]-	454.21234	202.0
[M]+	433.23712	198.4
[M]-	433.23822	198.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.24495

204.7

[M+Na]+

456.22689

208.3

[M-H]-

432.23039

209.1

[M+NH4]+

451.27149

215.5

[M+K]+

472.20083

204.6

[M+H-H2O]+

416.23493

194.5

[M+HCOO]-

478.23587

212.6

[M+CH3COO]-

492.25152

227.7

[M+Na-2H]-

454.21234

202.0

[M]+

433.23712

198.4

[M]-

433.23822

198.4

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

Pf-03382792

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe