CID 40079

2-((4-pyridinylcarbonyl)amino)benzoic acid methyl ester monohydrochloride

Structural Information

Molecular Formula
C14H12N2O3
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C14H12N2O3/c1-19-14(18)11-4-2-3-5-12(11)16-13(17)10-6-8-15-9-7-10/h2-9H,1H3,(H,16,17)
InChIKey
WEKMIMCAEGYNET-UHFFFAOYSA-N
Compound name
methyl 2-(pyridine-4-carbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.08478 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 156.3
[M+Na]+ 279.07400 162.8
[M-H]- 255.07750 161.7
[M+NH4]+ 274.11860 171.0
[M+K]+ 295.04794 160.2
[M+H-H2O]+ 239.08204 147.6
[M+HCOO]- 301.08298 179.4
[M+CH3COO]- 315.09863 195.6
[M+Na-2H]- 277.05945 161.8
[M]+ 256.08423 157.0
[M]- 256.08533 157.0
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