CID 202792

13322-69-5

Structural Information

Molecular Formula
C11H8N4O
SMILES
C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=CN3
InChI
InChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-11-12-7-13-15(10)11/h1-7H,(H,12,13,14)
InChIKey
KUHLBQOXSMEIHP-UHFFFAOYSA-N
Compound name
5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

103
Patents

212.06981 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07709 143.6
[M+Na]+ 235.05903 159.8
[M+NH4]+ 230.10363 151.2
[M+K]+ 251.03297 154.6
[M-H]- 211.06253 145.6
[M+Na-2H]- 233.04448 153.0
[M]+ 212.06926 146.5
[M]- 212.07036 146.5
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