CID 3066503

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

Structural Information

Molecular Formula
C23H24FN3O
SMILES
C=CCN1CCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)F
InChI
InChI=1S/C23H24FN3O/c1-2-13-26-14-11-19(12-15-26)27-23(28)21-6-4-3-5-20(21)22(25-27)16-17-7-9-18(24)10-8-17/h2-10,19H,1,11-16H2
InChIKey
SHIQPFLKOVDUBR-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methyl]-2-(1-prop-2-enylpiperidin-4-yl)phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.19034 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19762 195.7
[M+Na]+ 400.17956 211.5
[M+NH4]+ 395.22416 202.5
[M+K]+ 416.15350 201.3
[M-H]- 376.18306 200.1
[M+Na-2H]- 398.16501 203.5
[M]+ 377.18979 199.2
[M]- 377.19089 199.2
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.