CID 135537735

Benzenesulfonic acid, (5-chloro-1,2-dihydro-2-oxo-1-(phenylsulfonyl)-3h-indol-3-ylidene)hydrazide

Structural Information

Molecular Formula
C20H14ClN3O5S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)N=NC2=C(N(C3=C2C=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C20H14ClN3O5S2/c21-14-11-12-18-17(13-14)19(22-23-30(26,27)15-7-3-1-4-8-15)20(25)24(18)31(28,29)16-9-5-2-6-10-16/h1-13,25H
InChIKey
CKFVYJKKCQUPHD-UHFFFAOYSA-N
Compound name
N-[1-(benzenesulfonyl)-5-chloro-2-hydroxyindol-3-yl]iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.00635 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.01363 210.9
[M+Na]+ 497.99557 222.2
[M-H]- 473.99907 222.6
[M+NH4]+ 493.04017 221.8
[M+K]+ 513.96951 215.3
[M+H-H2O]+ 458.00361 203.7
[M+HCOO]- 520.00455 222.5
[M+CH3COO]- 534.02020 231.1
[M+Na-2H]- 495.98102 217.7
[M]+ 475.00580 220.6
[M]- 475.00690 220.6
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.