CID 135537727

Benzenesulfonic acid, (1,2-dihydro-2-oxo-1-(phenylsulfonyl)-3h-indol-3-ylidene)hydrazide

Structural Information

Molecular Formula
C20H15N3O5S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)N=NC2=C(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C20H15N3O5S2/c24-20-19(21-22-29(25,26)15-9-3-1-4-10-15)17-13-7-8-14-18(17)23(20)30(27,28)16-11-5-2-6-12-16/h1-14,24H
InChIKey
XGQNTHUIXCRTTN-UHFFFAOYSA-N
Compound name
N-[1-(benzenesulfonyl)-2-hydroxyindol-3-yl]iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.04532 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.05260 203.7
[M+Na]+ 464.03454 213.8
[M-H]- 440.03804 214.9
[M+NH4]+ 459.07914 214.7
[M+K]+ 480.00848 207.7
[M+H-H2O]+ 424.04258 195.6
[M+HCOO]- 486.04352 219.8
[M+CH3COO]- 500.05917 226.5
[M+Na-2H]- 462.01999 211.5
[M]+ 441.04477 210.7
[M]- 441.04587 210.7
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.