CID 481359

N-(benzenesulfonyl)-n'-[4-(benzenesulfonyl)-3-thienyl]-n-(cyclopentylmethyl)-2-oxo-propanediamide

Structural Information

Molecular Formula
C25H24N2O7S3
SMILES
C1CCC(C1)CN(C(=O)C(=O)C(=O)NC2=CSC=C2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H24N2O7S3/c28-23(24(29)26-21-16-35-17-22(21)36(31,32)19-11-3-1-4-12-19)25(30)27(15-18-9-7-8-10-18)37(33,34)20-13-5-2-6-14-20/h1-6,11-14,16-18H,7-10,15H2,(H,26,29)
InChIKey
RCZAUCIRLMFIKU-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-N'-[4-(benzenesulfonyl)thiophen-3-yl]-N-(cyclopentylmethyl)-2-oxopropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.0746 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.08188 235.2
[M+Na]+ 583.06382 236.7
[M-H]- 559.06732 246.3
[M+NH4]+ 578.10842 241.8
[M+K]+ 599.03776 232.7
[M+H-H2O]+ 543.07186 229.1
[M+HCOO]- 605.07280 240.8
[M+CH3COO]- 619.08845 243.6
[M+Na-2H]- 581.04927 236.0
[M]+ 560.07405 237.5
[M]- 560.07515 237.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.