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

8
Patents

215.06947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07675 144.8
[M+Na]+ 238.05869 152.2
[M-H]- 214.06219 147.8
[M+NH4]+ 233.10329 159.2
[M+K]+ 254.03263 148.6
[M+H-H2O]+ 198.06673 136.1
[M+HCOO]- 260.06767 166.7
[M+CH3COO]- 274.08332 186.0
[M+Na-2H]- 236.04414 152.8
[M]+ 215.06892 143.1
[M]- 215.07002 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