CID 3071196

1,2,4-triazolo(3,4-a)phthalazine, 3-phenyl-6-(1-piperidinyl)-

Structural Information

Molecular Formula
C20H19N5
SMILES
C1CCN(CC1)C2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C20H19N5/c1-3-9-15(10-4-1)18-21-22-19-16-11-5-6-12-17(16)20(23-25(18)19)24-13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-14H2
InChIKey
YRSBUBOHVMZWGF-UHFFFAOYSA-N
Compound name
3-phenyl-6-piperidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

329.16403 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17131 180.0
[M+Na]+ 352.15325 188.4
[M-H]- 328.15675 184.3
[M+NH4]+ 347.19785 189.7
[M+K]+ 368.12719 179.9
[M+H-H2O]+ 312.16129 166.4
[M+HCOO]- 374.16223 193.7
[M+CH3COO]- 388.17788 188.5
[M+Na-2H]- 350.13870 184.9
[M]+ 329.16348 177.0
[M]- 329.16458 177.0
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

patents stripe