PubChemLite - Benzenesulfonamide, n-methyl-n-[2-methyl-4-(octahydro-1-methyl-2-oxo-1,6-naphthyridin-6(2h)-yl)-2-phenylbutyl]- (C27H37N3O3S)

Structural Information

Molecular Formula

SMILES

CC(CCN1CCC2C(C1)CCC(=O)N2C)(CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H37N3O3S/c1-27(23-10-6-4-7-11-23,21-28(2)34(32,33)24-12-8-5-9-13-24)17-19-30-18-16-25-22(20-30)14-15-26(31)29(25)3/h4-13,22,25H,14-21H2,1-3H3

InChIKey

QPHAZZUHBRVUDC-UHFFFAOYSA-N

Compound name

N-methyl-N-[2-methyl-4-(1-methyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl)-2-phenylbutyl]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]+	484.26283	217.2
[M+Na]+	506.24477	218.4
[M-H]-	482.24827	223.4
[M+NH4]+	501.28937	222.6
[M+K]+	522.21871	213.3
[M+H-H2O]+	466.25281	206.0
[M+HCOO]-	528.25375	222.8
[M+CH3COO]-	542.26940	241.4
[M+Na-2H]-	504.23022	217.9
[M]+	483.25500	215.6
[M]-	483.25610	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.26283

217.2

[M+Na]+

506.24477

218.4

[M-H]-

482.24827

223.4

[M+NH4]+

501.28937

222.6

[M+K]+

522.21871

213.3

[M+H-H2O]+

466.25281

206.0

[M+HCOO]-

528.25375

222.8

[M+CH3COO]-

542.26940

241.4

[M+Na-2H]-

504.23022

217.9

[M]+

483.25500

215.6

[M]-

483.25610

215.6

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

Benzenesulfonamide, n-methyl-n-[2-methyl-4-(octahydro-1-methyl-2-oxo-1,6-naphthyridin-6(2h)-yl)-2-phenylbutyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe