CID 458771

2-[(4-aminobenzoyl)amino]-2-phenyl-acetic acid

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H14N2O3/c16-12-8-6-11(7-9-12)14(18)17-13(15(19)20)10-4-2-1-3-5-10/h1-9,13H,16H2,(H,17,18)(H,19,20)
InChIKey
MGRXETDHCNZPEN-UHFFFAOYSA-N
Compound name
2-[(4-aminobenzoyl)amino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.10043 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 161.1
[M+Na]+ 293.08965 165.5
[M-H]- 269.09315 165.8
[M+NH4]+ 288.13425 175.0
[M+K]+ 309.06359 162.4
[M+H-H2O]+ 253.09769 153.1
[M+HCOO]- 315.09863 183.0
[M+CH3COO]- 329.11428 199.9
[M+Na-2H]- 291.07510 163.5
[M]+ 270.09988 157.5
[M]- 270.10098 157.5
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

patents stripe