CID 135537739

99449-00-0

Structural Information

Molecular Formula
C21H16N4O7S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2O)N=NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H16N4O7S2/c1-14-7-10-17(11-8-14)34(31,32)24-19-12-9-15(25(27)28)13-18(19)20(21(24)26)22-23-33(29,30)16-5-3-2-4-6-16/h2-13,26H,1H3
InChIKey
AFBZHJVCCGKNLR-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(4-methylphenyl)sulfonyl-5-nitroindol-3-yl]iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.04605 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.05333 214.5
[M+Na]+ 523.03527 221.0
[M-H]- 499.03877 225.3
[M+NH4]+ 518.07987 221.3
[M+K]+ 539.00921 211.5
[M+H-H2O]+ 483.04331 209.6
[M+HCOO]- 545.04425 230.0
[M+CH3COO]- 559.05990 232.4
[M+Na-2H]- 521.02072 225.2
[M]+ 500.04550 219.1
[M]- 500.04660 219.1
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.