CID 135537737

99448-98-3

Structural Information

Molecular Formula
C21H14N4O6S
SMILES
C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2O)N=NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H14N4O6S/c26-20(14-7-3-1-4-8-14)24-18-12-11-15(25(28)29)13-17(18)19(21(24)27)22-23-32(30,31)16-9-5-2-6-10-16/h1-13,27H
InChIKey
KHRIRBAEKMUVLN-UHFFFAOYSA-N
Compound name
N-(1-benzoyl-2-hydroxy-5-nitroindol-3-yl)iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.06342 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.07070 201.2
[M+Na]+ 473.05264 207.3
[M-H]- 449.05614 212.7
[M+NH4]+ 468.09724 209.9
[M+K]+ 489.02658 199.0
[M+H-H2O]+ 433.06068 195.6
[M+HCOO]- 495.06162 222.6
[M+CH3COO]- 509.07727 225.8
[M+Na-2H]- 471.03809 209.7
[M]+ 450.06287 204.7
[M]- 450.06397 204.7
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.