CID 3054888

Brn 2785823

Structural Information

Molecular Formula
C16H15N3O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H15N3O6S/c1-10-6-8-11(9-7-10)26(24,25)19-18-15(21)14(20)17-13-5-3-2-4-12(13)16(22)23/h2-9,19H,1H3,(H,17,20)(H,18,21)(H,22,23)
InChIKey
XWNZHKIBRRVHIO-UHFFFAOYSA-N
Compound name
2-[[2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.06815 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.075426 182.3
[M+Na]+ 400.057368 186.2
[M-H]- 376.060874 187.3
[M+NH4]+ 395.101973 191.9
[M+K]+ 416.031308 183.1
[M+H-H2O]+ 360.065410 173.8
[M+HCOO]- 422.066351 199.4
[M+CH3COO]- 436.082001 217.6
[M+Na-2H]- 398.042816 185.1
[M]+ 377.06760142 183.1
[M]- 377.06869858 183.1
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.