CID 60434

9x302n23mp

Structural Information

Molecular Formula
C29H29F2N3O
SMILES
C1CN(CCC1N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)F)CCCC5=CC=C(C=C5)F
InChI
InChI=1S/C29H29F2N3O/c30-23-11-7-21(8-12-23)4-3-17-33-18-15-25(16-19-33)34-29(35)27-6-2-1-5-26(27)28(32-34)20-22-9-13-24(31)14-10-22/h1-2,5-14,25H,3-4,15-20H2
InChIKey
ZFGYXDLULSPZCM-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]piperidin-4-yl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.22787 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.23515 222.7
[M+Na]+ 496.21709 228.7
[M-H]- 472.22059 227.8
[M+NH4]+ 491.26169 226.1
[M+K]+ 512.19103 218.1
[M+H-H2O]+ 456.22513 205.3
[M+HCOO]- 518.22607 232.9
[M+CH3COO]- 532.24172 227.5
[M+Na-2H]- 494.20254 220.9
[M]+ 473.22732 217.5
[M]- 473.22842 217.5
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.