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

31
Patents

270.10043 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.107706 160.9
[M+Na]+ 293.089648 165.2
[M-H]- 269.093154 164.4
[M+NH4]+ 288.134253 173.8
[M+K]+ 309.063588 162.1
[M+H-H2O]+ 253.097690 152.2
[M+HCOO]- 315.098631 181.2
[M+CH3COO]- 329.114281 196.6
[M+Na-2H]- 291.075096 165.0
[M]+ 270.09988142 159.1
[M]- 270.10097858 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