CID 336554

3-phenyl-2-[(pyridin-3-yl)formamido]propanoic acid

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

30
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 160.9
[M+Na]+ 293.08965 165.2
[M-H]- 269.09315 164.4
[M+NH4]+ 288.13425 173.8
[M+K]+ 309.06359 162.1
[M+H-H2O]+ 253.09769 152.2
[M+HCOO]- 315.09863 181.2
[M+CH3COO]- 329.11428 196.6
[M+Na-2H]- 291.07510 165.0
[M]+ 270.09988 159.1
[M]- 270.10098 159.1
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

patents stripe