CID 3066499

1(2h)-phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl, monohydrochloride

Structural Information

Molecular Formula
C29H30FN3O2
SMILES
COC1=CC=C(C=C1)CCN2CCC(CC2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F
InChI
InChI=1S/C29H30FN3O2/c1-35-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)33-29(34)27-5-3-2-4-26(27)28(31-33)20-22-6-10-23(30)11-7-22/h2-13,24H,14-20H2,1H3
InChIKey
AJUHUXNBRSBSNB-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.2322 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.23948 221.9
[M+Na]+ 494.22142 227.6
[M-H]- 470.22492 228.5
[M+NH4]+ 489.26602 225.4
[M+K]+ 510.19536 218.4
[M+H-H2O]+ 454.22946 205.4
[M+HCOO]- 516.23040 233.4
[M+CH3COO]- 530.24605 227.2
[M+Na-2H]- 492.20687 221.0
[M]+ 471.23165 219.0
[M]- 471.23275 219.0
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.