CID 3087573

Benzoic acid, 2-((1,3-dioxo-3-(2-(phenylsulfonyl)hydrazino)propyl)amino)-

Structural Information

Molecular Formula
C16H15N3O6S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H15N3O6S/c20-14(17-13-9-5-4-8-12(13)16(22)23)10-15(21)18-19-26(24,25)11-6-2-1-3-7-11/h1-9,19H,10H2,(H,17,20)(H,18,21)(H,22,23)
InChIKey
ZTPIBCZZJWWIFC-UHFFFAOYSA-N
Compound name
2-[[3-[2-(benzenesulfonyl)hydrazinyl]-3-oxopropanoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.06815 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.07543 180.9
[M+Na]+ 400.05737 187.4
[M+NH4]+ 395.10197 184.0
[M+K]+ 416.03131 183.7
[M-H]- 376.06087 181.6
[M+Na-2H]- 398.04282 185.9
[M]+ 377.06760 181.8
[M]- 377.06870 181.8
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.