CID 135480622

72962-09-5

Structural Information

Molecular Formula
C10H8ClN3O
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Cl
InChI
InChI=1S/C10H8ClN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKey
VOSRRSSOXKZTFS-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

221.03558 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04286 144.8
[M+Na]+ 244.02480 155.7
[M-H]- 220.02830 147.7
[M+NH4]+ 239.06940 160.4
[M+K]+ 259.99874 149.2
[M+H-H2O]+ 204.03284 137.4
[M+HCOO]- 266.03378 162.5
[M+CH3COO]- 280.04943 157.3
[M+Na-2H]- 242.01025 151.2
[M]+ 221.03503 143.9
[M]- 221.03613 143.9
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