CID 68556738

6-(phenylamino)pyrimidine-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

215.06947 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe