CID 135537738

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

Structural Information

Molecular Formula
C20H14N4O7S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)N=NC2=C(N(C3=C2C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C20H14N4O7S2/c25-20-19(21-22-32(28,29)15-7-3-1-4-8-15)17-13-14(24(26)27)11-12-18(17)23(20)33(30,31)16-9-5-2-6-10-16/h1-13,25H
InChIKey
GUFCYQIXJAHDRO-UHFFFAOYSA-N
Compound name
N-[1-(benzenesulfonyl)-2-hydroxy-5-nitroindol-3-yl]iminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.0304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.03768 209.8
[M+Na]+ 509.01962 216.1
[M-H]- 485.02312 220.5
[M+NH4]+ 504.06422 216.9
[M+K]+ 524.99356 206.7
[M+H-H2O]+ 469.02766 204.9
[M+HCOO]- 531.02860 225.8
[M+CH3COO]- 545.04425 228.4
[M+Na-2H]- 507.00507 221.4
[M]+ 486.02985 213.7
[M]- 486.03095 213.7
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.