CID 6320583

Benzenesulfonamide, n-methyl-n-[2-methyl-4-(octahydro-5h-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylbutyl]-

Structural Information

Molecular Formula
C25H35N3O2S
SMILES
CC(CCN1CCC2C(C1)CCN2)(CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H35N3O2S/c1-25(22-9-5-3-6-10-22,15-18-28-17-14-24-21(19-28)13-16-26-24)20-27(2)31(29,30)23-11-7-4-8-12-23/h3-12,21,24,26H,13-20H2,1-2H3
InChIKey
BGPCWZSXSNZJJJ-UHFFFAOYSA-N
Compound name
N-[4-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-methyl-2-phenylbutyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.245 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.25228 206.7
[M+Na]+ 464.23422 208.0
[M-H]- 440.23772 212.3
[M+NH4]+ 459.27882 215.1
[M+K]+ 480.20816 202.4
[M+H-H2O]+ 424.24226 197.2
[M+HCOO]- 486.24320 213.8
[M+CH3COO]- 500.25885 228.7
[M+Na-2H]- 462.21967 207.1
[M]+ 441.24445 203.9
[M]- 441.24555 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.