CID 222693

66840-33-3

Structural Information

Molecular Formula
C7H8N4O
SMILES
CC1=NC=C2CNC(=O)NC2=N1
InChI
InChI=1S/C7H8N4O/c1-4-8-2-5-3-9-7(12)11-6(5)10-4/h2H,3H2,1H3,(H2,8,9,10,11,12)
InChIKey
UZFBYCNIWJKOFW-UHFFFAOYSA-N
Compound name
7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

164.06981 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 136.4
[M+Na]+ 187.05903 145.6
[M-H]- 163.06253 132.8
[M+NH4]+ 182.10363 151.4
[M+K]+ 203.03297 141.0
[M+H-H2O]+ 147.06707 128.4
[M+HCOO]- 209.06801 150.6
[M+CH3COO]- 223.08366 147.3
[M+Na-2H]- 185.04448 144.3
[M]+ 164.06926 131.4
[M]- 164.07036 131.4
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.