CID 12896000

4-[(pyridin-4-yl)amino]benzoic acid hydrochloride

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC(=CC=C1C(=O)O)NC2=CC=NC=C2
InChI
InChI=1S/C12H10N2O2/c15-12(16)9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-8H,(H,13,14)(H,15,16)
InChIKey
OEWZQATXQINCCC-UHFFFAOYSA-N
Compound name
4-(pyridin-4-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

214.07423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.081506 144.8
[M+Na]+ 237.063448 151.8
[M-H]- 213.066954 149.0
[M+NH4]+ 232.108053 160.6
[M+K]+ 253.037388 148.2
[M+H-H2O]+ 197.071490 136.8
[M+HCOO]- 259.072431 167.7
[M+CH3COO]- 273.088081 186.3
[M+Na-2H]- 235.048896 152.1
[M]+ 214.07368142 143.0
[M]- 214.07477858 143.0
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