CID 502189

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

Structural Information

Molecular Formula
C15H18N4O2
SMILES
CCCC1=NN2C(CC(=O)NC2=N1)C3=CC=C(C=C3)OC
InChI
InChI=1S/C15H18N4O2/c1-3-4-13-16-15-17-14(20)9-12(19(15)18-13)10-5-7-11(21-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,16,17,18,20)
InChIKey
ICNUTLGDYQMPAE-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-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

286.14297 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15025 169.2
[M+Na]+ 309.13219 177.9
[M-H]- 285.13569 170.2
[M+NH4]+ 304.17679 181.7
[M+K]+ 325.10613 172.5
[M+H-H2O]+ 269.14023 159.2
[M+HCOO]- 331.14117 184.5
[M+CH3COO]- 345.15682 179.0
[M+Na-2H]- 307.11764 171.2
[M]+ 286.14242 169.1
[M]- 286.14352 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.