CID 502191

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

Structural Information

Molecular Formula
C16H20N4O
SMILES
CCCCCC1=NN2C(CC(=O)NC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C16H20N4O/c1-2-3-5-10-14-17-16-18-15(21)11-13(20(16)19-14)12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11H2,1H3,(H,17,18,19,21)
InChIKey
WQFHCIHPELOVLT-UHFFFAOYSA-N
Compound name
2-pentyl-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

284.1637 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17098 170.1
[M+Na]+ 307.15292 177.7
[M-H]- 283.15642 170.5
[M+NH4]+ 302.19752 182.5
[M+K]+ 323.12686 171.4
[M+H-H2O]+ 267.16096 159.7
[M+HCOO]- 329.16190 184.9
[M+CH3COO]- 343.17755 179.3
[M+Na-2H]- 305.13837 172.3
[M]+ 284.16315 168.5
[M]- 284.16425 168.5
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

No patent data available for this compound.