CID 16776198

3-methyl-2-(pyridine-4-amido)benzoic acid

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=C(C(=CC=C1)C(=O)O)NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C14H12N2O3/c1-9-3-2-4-11(14(18)19)12(9)16-13(17)10-5-7-15-8-6-10/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey
ORVJLHWQKFLCCR-UHFFFAOYSA-N
Compound name
3-methyl-2-(pyridine-4-carbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08478 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 156.3
[M+Na]+ 279.07400 163.3
[M-H]- 255.07750 160.7
[M+NH4]+ 274.11860 170.5
[M+K]+ 295.04794 159.9
[M+H-H2O]+ 239.08204 148.1
[M+HCOO]- 301.08298 177.9
[M+CH3COO]- 315.09863 195.1
[M+Na-2H]- 277.05945 160.6
[M]+ 256.08423 155.6
[M]- 256.08533 155.6
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.