CID 73269

19030-75-2

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CCCC1=CNC(=O)NC1=O
InChI
InChI=1S/C7H10N2O2/c1-2-3-5-4-8-7(11)9-6(5)10/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKey
JHEKLAXXCHLMNM-UHFFFAOYSA-N
Compound name
5-propyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2749
Patents

154.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 129.6
[M+Na]+ 177.06345 139.5
[M-H]- 153.06695 128.4
[M+NH4]+ 172.10805 147.1
[M+K]+ 193.03739 135.7
[M+H-H2O]+ 137.07149 123.3
[M+HCOO]- 199.07243 150.0
[M+CH3COO]- 213.08808 170.2
[M+Na-2H]- 175.04890 136.4
[M]+ 154.07368 128.3
[M]- 154.07478 128.3
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.