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

56
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 132.7
[M+Na]+ 222.00407 147.3
[M-H]- 198.00757 134.4
[M+NH4]+ 217.04867 149.2
[M+K]+ 237.97801 143.8
[M+H-H2O]+ 182.01211 120.4
[M+HCOO]- 244.01305 148.1
[M+CH3COO]- 258.02870 196.0
[M+Na-2H]- 219.98952 137.6
[M]+ 199.01430 132.2
[M]- 199.01540 132.2
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