CID 427580

4-amino-6-chloro-1,2-dihydropyrimidin-2-one hydrochloride

Structural Information

Molecular Formula
C4H4ClN3O
SMILES
C1=C(NC(=O)N=C1N)Cl
InChI
InChI=1S/C4H4ClN3O/c5-2-1-3(6)8-4(9)7-2/h1H,(H3,6,7,8,9)
InChIKey
XGKXWYFBNZLIHA-UHFFFAOYSA-N
Compound name
4-amino-6-chloro-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

145.00429 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01157 123.3
[M+Na]+ 167.99351 134.5
[M-H]- 143.99701 123.2
[M+NH4]+ 163.03811 142.1
[M+K]+ 183.96745 130.2
[M+H-H2O]+ 128.00155 117.7
[M+HCOO]- 190.00249 141.5
[M+CH3COO]- 204.01814 170.5
[M+Na-2H]- 165.97896 131.0
[M]+ 145.00374 122.1
[M]- 145.00484 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe