CID 69523869

2-amino-6-chloro-3-methyl-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C5H6ClN3O
SMILES
CN1C(=O)C=C(N=C1N)Cl
InChI
InChI=1S/C5H6ClN3O/c1-9-4(10)2-3(6)8-5(9)7/h2H,1H3,(H2,7,8)
InChIKey
QMMJHXCWJBYQNP-UHFFFAOYSA-N
Compound name
2-amino-6-chloro-3-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

159.01994 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02722 127.3
[M+Na]+ 182.00916 139.4
[M-H]- 158.01266 128.8
[M+NH4]+ 177.05376 146.6
[M+K]+ 197.98310 135.7
[M+H-H2O]+ 142.01720 121.5
[M+HCOO]- 204.01814 146.6
[M+CH3COO]- 218.03379 177.3
[M+Na-2H]- 179.99461 134.2
[M]+ 159.01939 128.7
[M]- 159.02049 128.7
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