CID 136219543

5-(2-hydroxyethyl)-6-methyl-2-(pyridin-2-yl)pyrimidin-4-ol

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=C(C(=O)NC(=N1)C2=CC=CC=N2)CCO
InChI
InChI=1S/C12H13N3O2/c1-8-9(5-7-16)12(17)15-11(14-8)10-4-2-3-6-13-10/h2-4,6,16H,5,7H2,1H3,(H,14,15,17)
InChIKey
KRLMCOWLTFQQNX-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

231.10077 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 152.2
[M+Na]+ 254.08999 161.8
[M-H]- 230.09349 152.8
[M+NH4]+ 249.13459 164.9
[M+K]+ 270.06393 156.3
[M+H-H2O]+ 214.09803 143.3
[M+HCOO]- 276.09897 170.7
[M+CH3COO]- 290.11462 186.1
[M+Na-2H]- 252.07544 158.2
[M]+ 231.10022 151.6
[M]- 231.10132 151.6
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