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 195.6
[M+Na]+ 400.17956 202.8
[M-H]- 376.18306 199.6
[M+NH4]+ 395.22416 203.7
[M+K]+ 416.15350 193.9
[M+H-H2O]+ 360.18760 181.7
[M+HCOO]- 422.18854 208.5
[M+CH3COO]- 436.20419 203.0
[M+Na-2H]- 398.16501 196.4
[M]+ 377.18979 191.4
[M]- 377.19089 191.4
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.