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]+ 378.07543 182.3
[M+Na]+ 400.05737 186.2
[M-H]- 376.06087 187.3
[M+NH4]+ 395.10197 191.9
[M+K]+ 416.03131 183.1
[M+H-H2O]+ 360.06541 173.8
[M+HCOO]- 422.06635 199.4
[M+CH3COO]- 436.08200 217.6
[M+Na-2H]- 398.04282 185.1
[M]+ 377.06760 183.1
[M]- 377.06870 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.