CID 135966779

6-methyl-2-(pyrimidin-2-yl)-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C9H8N4O
SMILES
CC1=CC(=O)NC(=N1)C2=NC=CC=N2
InChI
InChI=1S/C9H8N4O/c1-6-5-7(14)13-9(12-6)8-10-3-2-4-11-8/h2-5H,1H3,(H,12,13,14)
InChIKey
DYAZURKURZQLDJ-UHFFFAOYSA-N
Compound name
4-methyl-2-pyrimidin-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06981 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07709 140.1
[M+Na]+ 211.05903 150.8
[M-H]- 187.06253 140.8
[M+NH4]+ 206.10363 153.7
[M+K]+ 227.03297 145.9
[M+H-H2O]+ 171.06707 130.8
[M+HCOO]- 233.06801 159.5
[M+CH3COO]- 247.08366 152.3
[M+Na-2H]- 209.04448 149.0
[M]+ 188.06926 139.0
[M]- 188.07036 139.0
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.