CID 3066516

110406-74-1

Structural Information

Molecular Formula
C30H30FN3O
SMILES
C1CC2CC(CC1N2CCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C(=N4)CC6=CC=C(C=C6)F
InChI
InChI=1S/C30H30FN3O/c31-23-12-10-22(11-13-23)18-29-27-8-4-5-9-28(27)30(35)34(32-29)26-19-24-14-15-25(20-26)33(24)17-16-21-6-2-1-3-7-21/h1-13,24-26H,14-20H2
InChIKey
ALIKARSJQJONAX-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methyl]-2-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.2373 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.24458 218.8
[M+Na]+ 490.22652 224.6
[M-H]- 466.23002 225.1
[M+NH4]+ 485.27112 225.9
[M+K]+ 506.20046 214.3
[M+H-H2O]+ 450.23456 203.5
[M+HCOO]- 512.23550 228.8
[M+CH3COO]- 526.25115 224.3
[M+Na-2H]- 488.21197 216.5
[M]+ 467.23675 215.0
[M]- 467.23785 215.0
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.