CID 135544956

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 143.8
[M+Na]+ 224.079428 154.6
[M-H]- 200.082934 146.0
[M+NH4]+ 219.124033 158.6
[M+K]+ 240.053368 149.6
[M+H-H2O]+ 184.087470 135.2
[M+HCOO]- 246.088411 164.0
[M+CH3COO]- 260.104061 156.4
[M+Na-2H]- 222.064876 150.9
[M]+ 201.08966142 143.4
[M]- 201.09075858 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

No patent data available for this compound.