CID 135435113

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

Structural Information

Molecular Formula
C10H7Cl2N3O
SMILES
C1=CC=C(C(=C1)C2=C(C(=O)NC(=N2)N)Cl)Cl
InChI
InChI=1S/C10H7Cl2N3O/c11-6-4-2-1-3-5(6)8-7(12)9(16)15-10(13)14-8/h1-4H,(H3,13,14,15,16)
InChIKey
OKUKENBPQIBTGY-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-(2-chlorophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

254.99661 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.00389 150.4
[M+Na]+ 277.98583 162.4
[M-H]- 253.98933 152.9
[M+NH4]+ 273.03043 165.3
[M+K]+ 293.95977 154.9
[M+H-H2O]+ 237.99387 143.8
[M+HCOO]- 299.99481 162.9
[M+CH3COO]- 314.01046 162.4
[M+Na-2H]- 275.97128 155.3
[M]+ 254.99606 151.0
[M]- 254.99716 151.0
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