CID 1174126

2-[(2,4-dimethylphenyl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=CC(=C(C=C1)NC2=C(C=CC=N2)C(=O)O)C
InChI
InChI=1S/C14H14N2O2/c1-9-5-6-12(10(2)8-9)16-13-11(14(17)18)4-3-7-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChIKey
IHGRBDWEPCBBAB-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.10553 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.1
[M+Na]+ 265.09475 162.2
[M-H]- 241.09825 158.8
[M+NH4]+ 260.13935 169.5
[M+K]+ 281.06869 158.2
[M+H-H2O]+ 225.10279 146.2
[M+HCOO]- 287.10373 176.4
[M+CH3COO]- 301.11938 194.7
[M+Na-2H]- 263.08020 158.9
[M]+ 242.10498 153.9
[M]- 242.10608 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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