CID 3066510

110406-71-8

Structural Information

Molecular Formula
C29H34FN3O
SMILES
C1CCC(CC1)CN2C3CCC2CC(C3)N4C(=O)C5=CC=CC=C5C(=N4)CC6=CC=C(C=C6)F
InChI
InChI=1S/C29H34FN3O/c30-22-12-10-20(11-13-22)16-28-26-8-4-5-9-27(26)29(34)33(31-28)25-17-23-14-15-24(18-25)32(23)19-21-6-2-1-3-7-21/h4-5,8-13,21,23-25H,1-3,6-7,14-19H2
InChIKey
FNRXBFVKUCEWKJ-UHFFFAOYSA-N
Compound name
2-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.2686 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.27588 219.6
[M+Na]+ 482.25782 233.4
[M+NH4]+ 477.30242 227.5
[M+K]+ 498.23176 224.3
[M-H]- 458.26132 225.4
[M+Na-2H]- 480.24327 224.1
[M]+ 459.26805 223.2
[M]- 459.26915 223.2
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.