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]+ 236.058516 149.7
[M+Na]+ 258.040458 161.2
[M-H]- 234.043964 152.9
[M+NH4]+ 253.085063 165.1
[M+K]+ 274.014398 154.4
[M+H-H2O]+ 218.048500 142.4
[M+HCOO]- 280.049441 167.1
[M+CH3COO]- 294.065091 162.2
[M+Na-2H]- 256.025906 154.9
[M]+ 235.05069142 149.6
[M]- 235.05178858 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.