CID 12205687

6-chloro-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C7H6ClN3O2
SMILES
CN1C(=C(C(=O)N(C1=O)C)C#N)Cl
InChI
InChI=1S/C7H6ClN3O2/c1-10-5(8)4(3-9)6(12)11(2)7(10)13/h1-2H3
InChIKey
KTMMEWQJKQBEAK-UHFFFAOYSA-N
Compound name
4-chloro-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

199.01485 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.02213 133.8
[M+Na]+ 222.00407 148.2
[M+NH4]+ 217.04867 137.5
[M+K]+ 237.97801 139.7
[M-H]- 198.00757 127.1
[M+Na-2H]- 219.98952 137.4
[M]+ 199.01430 133.3
[M]- 199.01540 133.3
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

patents stripe