CID 135537729

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

Structural Information

Molecular Formula
C22H19N3O3S
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NS(=O)(=O)C3=CC=CC=C3)O)CC4=CC=CC=C4
InChI
InChI=1S/C22H19N3O3S/c1-16-12-13-20-19(14-16)21(22(26)25(20)15-17-8-4-2-5-9-17)23-24-29(27,28)18-10-6-3-7-11-18/h2-14,26H,15H2,1H3
InChIKey
ZRYJPNRHEIFTIZ-UHFFFAOYSA-N
Compound name
N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.11472 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12200 196.5
[M+Na]+ 428.10394 206.6
[M-H]- 404.10744 208.4
[M+NH4]+ 423.14854 209.4
[M+K]+ 444.07788 200.4
[M+H-H2O]+ 388.11198 187.2
[M+HCOO]- 450.11292 218.2
[M+CH3COO]- 464.12857 207.7
[M+Na-2H]- 426.08939 201.7
[M]+ 405.11417 203.1
[M]- 405.11527 203.1
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.