CID 135435116

4(3h)-pyrimidinone, 2-amino-5-chloro-6-(2-methylphenyl)-

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
CC1=CC=CC=C1C2=C(C(=O)NC(=N2)N)Cl
InChI
InChI=1S/C11H10ClN3O/c1-6-4-2-3-5-7(6)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16)
InChIKey
LPJCRROIFDJDJR-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-(2-methylphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.05124 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 149.7
[M+Na]+ 258.04046 161.2
[M-H]- 234.04396 152.9
[M+NH4]+ 253.08506 165.1
[M+K]+ 274.01440 154.4
[M+H-H2O]+ 218.04850 142.4
[M+HCOO]- 280.04944 167.1
[M+CH3COO]- 294.06509 162.2
[M+Na-2H]- 256.02591 154.9
[M]+ 235.05069 149.6
[M]- 235.05179 149.6
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

No patent data available for this compound.