CID 3055212

N-(((p-nitrophenylsulfonyl)hydrazino)oxalyl)anthranilic acid

Structural Information

Molecular Formula
C15H12N4O8S
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O8S/c20-13(16-12-4-2-1-3-11(12)15(22)23)14(21)17-18-28(26,27)10-7-5-9(6-8-10)19(24)25/h1-8,18H,(H,16,20)(H,17,21)(H,22,23)
InChIKey
SJAQIUYECZTCDG-UHFFFAOYSA-N
Compound name
2-[[2-[2-(4-nitrophenyl)sulfonylhydrazinyl]-2-oxoacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0376 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.04488 179.2
[M+Na]+ 431.02682 185.6
[M+NH4]+ 426.07142 181.1
[M+K]+ 447.00076 186.2
[M-H]- 407.03032 180.3
[M+Na-2H]- 429.01227 183.6
[M]+ 408.03705 179.9
[M]- 408.03815 179.9
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.