CID 135504756

5,6-dimethyl-2-(pyridin-2-yl)pyrimidin-4-ol

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=C(N=C(NC1=O)C2=CC=CC=N2)C
InChI
InChI=1S/C11H11N3O/c1-7-8(2)13-10(14-11(7)15)9-5-3-4-6-12-9/h3-6H,1-2H3,(H,13,14,15)
InChIKey
RVSHHTOLEDONMB-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-pyridin-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

201.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.8
[M+Na]+ 224.07943 154.6
[M-H]- 200.08293 146.0
[M+NH4]+ 219.12403 158.6
[M+K]+ 240.05337 149.6
[M+H-H2O]+ 184.08747 135.2
[M+HCOO]- 246.08841 164.0
[M+CH3COO]- 260.10406 156.4
[M+Na-2H]- 222.06488 150.9
[M]+ 201.08966 143.4
[M]- 201.09076 143.4
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