CID 385920

Nsc677383

Structural Information

Molecular Formula
C17H14N2O6
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)CC(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H14N2O6/c20-14(18-12-5-1-10(2-6-12)16(22)23)9-15(21)19-13-7-3-11(4-8-13)17(24)25/h1-8H,9H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)
InChIKey
NPCIOPZZQQSOPU-UHFFFAOYSA-N
Compound name
4-[[3-(4-carboxyanilino)-3-oxopropanoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.08517 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09245 175.3
[M+Na]+ 365.07439 179.0
[M-H]- 341.07789 179.2
[M+NH4]+ 360.11899 185.5
[M+K]+ 381.04833 176.8
[M+H-H2O]+ 325.08243 166.9
[M+HCOO]- 387.08337 195.6
[M+CH3COO]- 401.09902 211.2
[M+Na-2H]- 363.05984 175.8
[M]+ 342.08462 174.1
[M]- 342.08572 174.1
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.