CID 502188

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

Structural Information

Molecular Formula
C14H16N4O
SMILES
CCCC1=NN2C(CC(=O)NC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C14H16N4O/c1-2-6-12-15-14-16-13(19)9-11(18(14)17-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,15,16,17,19)
InChIKey
XYJMDOGPTGPOOD-UHFFFAOYSA-N
Compound name
7-phenyl-2-propyl-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

256.13242 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 161.3
[M+Na]+ 279.12164 169.9
[M-H]- 255.12514 162.1
[M+NH4]+ 274.16624 174.9
[M+K]+ 295.09558 164.0
[M+H-H2O]+ 239.12968 151.4
[M+HCOO]- 301.13062 176.8
[M+CH3COO]- 315.14627 171.5
[M+Na-2H]- 277.10709 164.6
[M]+ 256.13187 159.1
[M]- 256.13297 159.1
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.