CID 3066495

1(2h)-phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-phenylpropyl)-4-piperidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C29H30FN3O
SMILES
C1CN(CCC1N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)F)CCCC5=CC=CC=C5
InChI
InChI=1S/C29H30FN3O/c30-24-14-12-23(13-15-24)21-28-26-10-4-5-11-27(26)29(34)33(31-28)25-16-19-32(20-17-25)18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-15,25H,6,9,16-21H2
InChIKey
QJCBYUBYVDTRBX-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.2373 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.24458 217.9
[M+Na]+ 478.22652 222.9
[M-H]- 454.23002 223.9
[M+NH4]+ 473.27112 221.8
[M+K]+ 494.20046 212.8
[M+H-H2O]+ 438.23456 201.4
[M+HCOO]- 500.23550 229.2
[M+CH3COO]- 514.25115 223.0
[M+Na-2H]- 476.21197 217.6
[M]+ 455.23675 213.1
[M]- 455.23785 213.1
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.