CID 462922

N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylmethyl]benzamide

Structural Information

Molecular Formula
C27H24N4O6S3
SMILES
C1=CC=C(C(=C1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C27H24N4O6S3/c28-39(34,35)21-13-9-19(10-14-21)30-26(32)23-6-2-1-5-18(23)17-38-25-8-4-3-7-24(25)27(33)31-20-11-15-22(16-12-20)40(29,36)37/h1-16H,17H2,(H,30,32)(H,31,33)(H2,28,34,35)(H2,29,36,37)
InChIKey
VIJGFCGFRNOOOD-UHFFFAOYSA-N
Compound name
N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylmethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

596.0858 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.09308 232.7
[M+Na]+ 619.07502 234.5
[M-H]- 595.07852 239.9
[M+NH4]+ 614.11962 232.4
[M+K]+ 635.04896 225.6
[M+H-H2O]+ 579.08306 222.1
[M+HCOO]- 641.08400 238.3
[M+CH3COO]- 655.09965 257.5
[M+Na-2H]- 617.06047 238.9
[M]+ 596.08525 231.2
[M]- 596.08635 231.2
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.