CID 502203

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

Structural Information

Molecular Formula
C16H13N5O
SMILES
C1C(N2C(=NC(=N2)C3=CC=NC=C3)NC1=O)C4=CC=CC=C4
InChI
InChI=1S/C16H13N5O/c22-14-10-13(11-4-2-1-3-5-11)21-16(18-14)19-15(20-21)12-6-8-17-9-7-12/h1-9,13H,10H2,(H,18,19,20,22)
InChIKey
OZXBFZUAOIXREK-UHFFFAOYSA-N
Compound name
7-phenyl-2-pyridin-4-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

291.112 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11928 169.0
[M+Na]+ 314.10122 177.8
[M-H]- 290.10472 171.8
[M+NH4]+ 309.14582 178.9
[M+K]+ 330.07516 170.3
[M+H-H2O]+ 274.10926 157.0
[M+HCOO]- 336.11020 183.5
[M+CH3COO]- 350.12585 178.2
[M+Na-2H]- 312.08667 173.3
[M]+ 291.11145 165.3
[M]- 291.11255 165.3
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.