PubChemLite - Nsc683532 (C24H31NO3S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)N(C2C3CCC(C2O)(C3(C)C)C)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H31NO3S/c1-16-13-17(2)15-18(14-16)25(29(27,28)19-9-7-6-8-10-19)21-20-11-12-24(5,22(21)26)23(20,3)4/h6-10,13-15,20-22,26H,11-12H2,1-5H3

InChIKey

XOYOZKHVKVMVIE-UHFFFAOYSA-N

Compound name

N-(3,5-dimethylphenyl)-N-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide

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]+	414.20973	198.8
[M+Na]+	436.19167	206.9
[M-H]-	412.19517	208.5
[M+NH4]+	431.23627	219.2
[M+K]+	452.16561	202.5
[M+H-H2O]+	396.19971	194.4
[M+HCOO]-	458.20065	212.5
[M+CH3COO]-	472.21630	226.8
[M+Na-2H]-	434.17712	199.0
[M]+	413.20190	204.0
[M]-	413.20300	204.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

414.20973

198.8

[M+Na]+

436.19167

206.9

[M-H]-

412.19517

208.5

[M+NH4]+

431.23627

219.2

[M+K]+

452.16561

202.5

[M+H-H2O]+

396.19971

194.4

[M+HCOO]-

458.20065

212.5

[M+CH3COO]-

472.21630

226.8

[M+Na-2H]-

434.17712

199.0

[M]+

413.20190

204.0

[M]-

413.20300

204.0

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

Nsc683532

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe