CID 502194

[1,2,4]triazolo[1,5-a]pyrimidin-5(4h)-one, 2-cyclohexyl-6,7-dihydro-7-phenyl-

Structural Information

Molecular Formula
C17H20N4O
SMILES
C1CCC(CC1)C2=NN3C(CC(=O)NC3=N2)C4=CC=CC=C4
InChI
InChI=1S/C17H20N4O/c22-15-11-14(12-7-3-1-4-8-12)21-17(18-15)19-16(20-21)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,18,19,20,22)
InChIKey
NYSMUVIIRXMKRJ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1637 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 172.4
[M+Na]+ 319.15292 177.7
[M-H]- 295.15642 175.1
[M+NH4]+ 314.19752 183.3
[M+K]+ 335.12686 171.0
[M+H-H2O]+ 279.16096 160.7
[M+HCOO]- 341.16190 183.7
[M+CH3COO]- 355.17755 180.4
[M+Na-2H]- 317.13837 173.0
[M]+ 296.16315 164.2
[M]- 296.16425 164.2
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.