CID 26343175

920287-46-3

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1=CN=C(N=C1)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H9N3O2/c15-10(16)8-2-4-9(5-3-8)14-11-12-6-1-7-13-11/h1-7H,(H,15,16)(H,12,13,14)
InChIKey
ZBDXNIXEOKDJKQ-UHFFFAOYSA-N
Compound name
4-(pyrimidin-2-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.06947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 144.8
[M+Na]+ 238.058688 152.2
[M-H]- 214.062194 147.8
[M+NH4]+ 233.103293 159.2
[M+K]+ 254.032628 148.6
[M+H-H2O]+ 198.066730 136.1
[M+HCOO]- 260.067671 166.7
[M+CH3COO]- 274.083321 186.0
[M+Na-2H]- 236.044136 152.8
[M]+ 215.06892142 143.1
[M]- 215.07001858 143.1
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

patents stripe