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 200.2
[M+Na]+ 509.01962 212.1
[M+NH4]+ 504.06422 204.7
[M+K]+ 524.99356 208.4
[M-H]- 485.02312 205.3
[M+Na-2H]- 507.00507 209.2
[M]+ 486.02985 203.9
[M]- 486.03095 203.9
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.