CID 16102869

6-chloro-1-isopropyl-3-methylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C8H11ClN2O2
SMILES
CC(C)N1C(=CC(=O)N(C1=O)C)Cl
InChI
InChI=1S/C8H11ClN2O2/c1-5(2)11-6(9)4-7(12)10(3)8(11)13/h4-5H,1-3H3
InChIKey
CXSZWSOPYFTMGO-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.0509 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.058176 135.7
[M+Na]+ 225.040118 148.3
[M-H]- 201.043624 137.8
[M+NH4]+ 220.084723 154.1
[M+K]+ 241.014058 144.8
[M+H-H2O]+ 185.048160 130.0
[M+HCOO]- 247.049101 153.2
[M+CH3COO]- 261.064751 185.5
[M+Na-2H]- 223.025566 140.1
[M]+ 202.05035142 140.5
[M]- 202.05144858 140.5
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