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

7
Patents

188.03525 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.042526 131.8
[M+Na]+ 211.024468 145.0
[M-H]- 187.027974 133.9
[M+NH4]+ 206.069073 150.8
[M+K]+ 226.998408 141.3
[M+H-H2O]+ 171.032510 126.1
[M+HCOO]- 233.033451 150.5
[M+CH3COO]- 247.049101 181.6
[M+Na-2H]- 209.009916 137.8
[M]+ 188.03470142 136.8
[M]- 188.03579858 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