CID 15210021

6-(chloromethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
CN1C(=CC(=O)N(C1=O)C)CCl
InChI
InChI=1S/C7H9ClN2O2/c1-9-5(4-8)3-6(11)10(2)7(9)12/h3H,4H2,1-2H3
InChIKey
AEIYRTHZNGTKQE-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

188.03525 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04253 131.8
[M+Na]+ 211.02447 145.0
[M-H]- 187.02797 133.9
[M+NH4]+ 206.06907 150.8
[M+K]+ 226.99841 141.3
[M+H-H2O]+ 171.03251 126.1
[M+HCOO]- 233.03345 150.5
[M+CH3COO]- 247.04910 181.6
[M+Na-2H]- 209.00992 137.8
[M]+ 188.03470 136.8
[M]- 188.03580 136.8
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