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]+ 232.108046 152.2
[M+Na]+ 254.089988 161.8
[M-H]- 230.093494 152.8
[M+NH4]+ 249.134593 164.9
[M+K]+ 270.063928 156.3
[M+H-H2O]+ 214.098030 143.3
[M+HCOO]- 276.098971 170.7
[M+CH3COO]- 290.114621 186.1
[M+Na-2H]- 252.075436 158.2
[M]+ 231.10022142 151.6
[M]- 231.10131858 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