CID 336554

36724-78-4

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H14N2O3/c18-14(12-7-4-8-16-10-12)17-13(15(19)20)9-11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,17,18)(H,19,20)
InChIKey
KSZPRUJKMRILRZ-UHFFFAOYSA-N
Compound name
3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

270.10043 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 161.6
[M+Na]+ 293.08965 172.8
[M+NH4]+ 288.13425 167.7
[M+K]+ 309.06359 167.7
[M-H]- 269.09315 163.9
[M+Na-2H]- 291.07510 169.0
[M]+ 270.09988 163.5
[M]- 270.10098 163.5
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