CID 135537731

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

Structural Information

Molecular Formula
C21H17N3O5S2
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NS(=O)(=O)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H17N3O5S2/c1-15-12-13-19-18(14-15)20(22-23-30(26,27)16-8-4-2-5-9-16)21(25)24(19)31(28,29)17-10-6-3-7-11-17/h2-14,25H,1H3
InChIKey
NCSOSLYOWXDMTE-UHFFFAOYSA-N
Compound name
N-[1-(benzenesulfonyl)-2-hydroxy-5-methylindol-3-yl]iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.06097 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.06825 208.3
[M+Na]+ 478.05019 218.6
[M-H]- 454.05369 219.5
[M+NH4]+ 473.09479 218.9
[M+K]+ 494.02413 212.3
[M+H-H2O]+ 438.05823 200.1
[M+HCOO]- 500.05917 223.9
[M+CH3COO]- 514.07482 230.6
[M+Na-2H]- 476.03564 215.0
[M]+ 455.06042 215.9
[M]- 455.06152 215.9
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.