CID 71299225

2-[(4-cyanophenyl)amino]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H8N4O2
SMILES
C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)C(=O)O
InChI
InChI=1S/C12H8N4O2/c13-7-8-1-3-9(4-2-8)15-12-14-6-5-10(16-12)11(17)18/h1-6H,(H,17,18)(H,14,15,16)
InChIKey
LTAPRASFDZZNLW-UHFFFAOYSA-N
Compound name
2-(4-cyanoanilino)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06473 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07201 156.6
[M+Na]+ 263.05395 169.0
[M+NH4]+ 258.09855 159.6
[M+K]+ 279.02789 160.1
[M-H]- 239.05745 151.6
[M+Na-2H]- 261.03940 161.6
[M]+ 240.06418 155.9
[M]- 240.06528 155.9
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.