CID 135537736

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

Structural Information

Molecular Formula
C21H16N4O5S
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2O)N=NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H16N4O5S/c26-21-20(22-23-31(29,30)17-9-5-2-6-10-17)18-13-16(25(27)28)11-12-19(18)24(21)14-15-7-3-1-4-8-15/h1-13,26H,14H2
InChIKey
FBQLOCBJJQENNX-UHFFFAOYSA-N
Compound name
N-(1-benzyl-2-hydroxy-5-nitroindol-3-yl)iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.08414 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.09142 199.0
[M+Na]+ 459.07336 205.7
[M-H]- 435.07686 210.5
[M+NH4]+ 454.11796 208.6
[M+K]+ 475.04730 196.5
[M+H-H2O]+ 419.08140 193.3
[M+HCOO]- 481.08234 221.2
[M+CH3COO]- 495.09799 224.4
[M+Na-2H]- 457.05881 208.0
[M]+ 436.08359 202.6
[M]- 436.08469 202.6
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.