CID 6320588

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

Structural Information

Molecular Formula
C33H41N3O3S
SMILES
CC(CCN1CCC2C(C1)CCC(=O)N2CC3=CC=CC=C3)(CN(C)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C33H41N3O3S/c1-33(29-14-8-4-9-15-29,26-34(2)40(38,39)30-16-10-5-11-17-30)21-23-35-22-20-31-28(25-35)18-19-32(37)36(31)24-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3
InChIKey
MSTVZNMCSCYCDP-UHFFFAOYSA-N
Compound name
N-[4-(1-benzyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl)-2-methyl-2-phenylbutyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

559.28687 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.29415 235.3
[M+Na]+ 582.27609 234.8
[M-H]- 558.27959 243.4
[M+NH4]+ 577.32069 236.6
[M+K]+ 598.25003 228.4
[M+H-H2O]+ 542.28413 221.9
[M+HCOO]- 604.28507 239.9
[M+CH3COO]- 618.30072 254.4
[M+Na-2H]- 580.26154 235.7
[M]+ 559.28632 232.5
[M]- 559.28742 232.5
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.