CID 10422531

2-(2-oxo-2-(pyridin-3-ylamino)ethyl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C14H12N2O3
SMILES
C1=CC=C(C(=C1)CC(=O)NC2=CN=CC=C2)C(=O)O
InChI
InChI=1S/C14H12N2O3/c17-13(16-11-5-3-7-15-9-11)8-10-4-1-2-6-12(10)14(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChIKey
UKSUYGBFAGJEPM-UHFFFAOYSA-N
Compound name
2-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08478 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 156.3
[M+Na]+ 279.07400 162.3
[M-H]- 255.07750 160.3
[M+NH4]+ 274.11860 170.2
[M+K]+ 295.04794 158.9
[M+H-H2O]+ 239.08204 147.8
[M+HCOO]- 301.08298 177.9
[M+CH3COO]- 315.09863 193.9
[M+Na-2H]- 277.05945 161.3
[M]+ 256.08423 155.2
[M]- 256.08533 155.2
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.