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]+ 203.05818 135.7
[M+Na]+ 225.04012 148.3
[M-H]- 201.04362 137.8
[M+NH4]+ 220.08472 154.1
[M+K]+ 241.01406 144.8
[M+H-H2O]+ 185.04816 130.0
[M+HCOO]- 247.04910 153.2
[M+CH3COO]- 261.06475 185.5
[M+Na-2H]- 223.02557 140.1
[M]+ 202.05035 140.5
[M]- 202.05145 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