CID 459549

2-[(2-amino-4-pyridyl)amino]benzoic acid

Structural Information

Molecular Formula
C12H11N3O2
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC(=NC=C2)N
InChI
InChI=1S/C12H11N3O2/c13-11-7-8(5-6-14-11)15-10-4-2-1-3-9(10)12(16)17/h1-7H,(H,16,17)(H3,13,14,15)
InChIKey
OBYSZKJBGXOORM-UHFFFAOYSA-N
Compound name
2-[(2-aminopyridin-4-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 149.0
[M+Na]+ 252.07435 156.1
[M-H]- 228.07785 153.1
[M+NH4]+ 247.11895 163.9
[M+K]+ 268.04829 152.2
[M+H-H2O]+ 212.08239 140.9
[M+HCOO]- 274.08333 172.3
[M+CH3COO]- 288.09898 192.1
[M+Na-2H]- 250.05980 155.0
[M]+ 229.08458 146.0
[M]- 229.08568 146.0
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

No patent data available for this compound.