CID 3066509

110406-70-7

Structural Information

Molecular Formula
C25H26FN3O
SMILES
C=CCN1C2CCC1CC(C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F
InChI
InChI=1S/C25H26FN3O/c1-2-13-28-19-11-12-20(28)16-21(15-19)29-25(30)23-6-4-3-5-22(23)24(27-29)14-17-7-9-18(26)10-8-17/h2-10,19-21H,1,11-16H2
InChIKey
ZMIOYYWFPHEZFU-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methyl]-2-(8-prop-2-enyl-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

403.206 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.21328 202.8
[M+Na]+ 426.19522 217.4
[M+NH4]+ 421.23982 210.3
[M+K]+ 442.16916 208.9
[M-H]- 402.19872 206.4
[M+Na-2H]- 424.18067 207.2
[M]+ 403.20545 205.9
[M]- 403.20655 205.9
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.