CID 135537733

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

Structural Information

Molecular Formula
C21H16ClN3O3S
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=C2O)N=NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H16ClN3O3S/c22-16-11-12-19-18(13-16)20(21(26)25(19)14-15-7-3-1-4-8-15)23-24-29(27,28)17-9-5-2-6-10-17/h1-13,26H,14H2
InChIKey
MQTSLNRZAXWYBD-UHFFFAOYSA-N
Compound name
N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.0601 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.06738 200.1
[M+Na]+ 448.04932 211.3
[M-H]- 424.05282 212.0
[M+NH4]+ 443.09392 213.0
[M+K]+ 464.02326 204.0
[M+H-H2O]+ 408.05736 191.4
[M+HCOO]- 470.05830 217.4
[M+CH3COO]- 484.07395 211.2
[M+Na-2H]- 446.03477 205.1
[M]+ 425.05955 208.6
[M]- 425.06065 208.6
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.