CID 135537732

99448-92-7

Structural Information

Molecular Formula
C22H19N3O5S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C)C(=C2O)N=NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H19N3O5S2/c1-15-8-11-18(12-9-15)32(29,30)25-20-13-10-16(2)14-19(20)21(22(25)26)23-24-31(27,28)17-6-4-3-5-7-17/h3-14,26H,1-2H3
InChIKey
KHHFTPOIMLYNDI-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.0766 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.08388 212.7
[M+Na]+ 492.06582 223.1
[M-H]- 468.06932 224.1
[M+NH4]+ 487.11042 222.9
[M+K]+ 508.03976 216.8
[M+H-H2O]+ 452.07386 204.4
[M+HCOO]- 514.07480 227.9
[M+CH3COO]- 528.09045 234.7
[M+Na-2H]- 490.05127 218.4
[M]+ 469.07605 221.1
[M]- 469.07715 221.1
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.