CID 135431193

6-methyl-2-(3-(trifluoromethyl)anilino)-4-pyrimidinol

Structural Information

Molecular Formula
C12H10F3N3O
SMILES
CC1=CC(=O)NC(=N1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H10F3N3O/c1-7-5-10(19)18-11(16-7)17-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKey
KCQODRPHVULWMO-UHFFFAOYSA-N
Compound name
4-methyl-2-[3-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

269.0776 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08488 156.7
[M+Na]+ 292.06682 166.6
[M-H]- 268.07032 156.3
[M+NH4]+ 287.11142 169.7
[M+K]+ 308.04076 160.7
[M+H-H2O]+ 252.07486 145.9
[M+HCOO]- 314.07580 174.1
[M+CH3COO]- 328.09145 196.4
[M+Na-2H]- 290.05227 162.5
[M]+ 269.07705 151.5
[M]- 269.07815 151.5
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

No patent data available for this compound.