CID 155460838

Schembl22863019

Structural Information

Molecular Formula
C29H27N3O4S
SMILES
CC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C)C(=O)NC4=CC=CC(=C4)C
InChI
InChI=1S/C29H27N3O4S/c1-19-7-4-10-24(13-19)30-28(33)22-16-23(29(34)31-25-11-5-8-20(2)14-25)18-27(17-22)37(35,36)32-26-12-6-9-21(3)15-26/h4-18,32H,1-3H3,(H,30,33)(H,31,34)
InChIKey
GMXGEZFTPFMWIB-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

513.17224 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.17952 223.8
[M+Na]+ 536.16146 227.9
[M-H]- 512.16496 235.7
[M+NH4]+ 531.20606 228.4
[M+K]+ 552.13540 221.8
[M+H-H2O]+ 496.16950 212.1
[M+HCOO]- 558.17044 240.9
[M+CH3COO]- 572.18609 249.9
[M+Na-2H]- 534.14691 224.9
[M]+ 513.17169 225.4
[M]- 513.17279 225.4
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.