CID 502201

7-(4-methoxyphenyl)-2-(3-pyridyl)-6,7-dihydro-4h-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

Structural Information

Molecular Formula
C17H15N5O2
SMILES
COC1=CC=C(C=C1)C2CC(=O)NC3=NC(=NN23)C4=CN=CC=C4
InChI
InChI=1S/C17H15N5O2/c1-24-13-6-4-11(5-7-13)14-9-15(23)19-17-20-16(21-22(14)17)12-3-2-8-18-10-12/h2-8,10,14H,9H2,1H3,(H,19,20,21,23)
InChIKey
XZUJSVGRJSLAOO-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-2-pyridin-3-yl-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

321.1226 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12988 177.0
[M+Na]+ 344.11182 186.0
[M-H]- 320.11532 180.1
[M+NH4]+ 339.15642 185.9
[M+K]+ 360.08576 179.0
[M+H-H2O]+ 304.11986 165.0
[M+HCOO]- 366.12080 191.3
[M+CH3COO]- 380.13645 186.0
[M+Na-2H]- 342.09727 180.1
[M]+ 321.12205 175.4
[M]- 321.12315 175.4
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.