CID 9888392

8-[3-[1-[(3-fluorophenyl)methyl]-4-piperidinyl]-1-oxopropyl]-1,2,5,6-tetrahydro-4h-pyrrolo[3,2,1-ij]quinoline-4-one

Structural Information

Molecular Formula
C26H29FN2O2
SMILES
C1CN(CCC1CCC(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)CC5=CC(=CC=C5)F
InChI
InChI=1S/C26H29FN2O2/c27-23-3-1-2-19(14-23)17-28-11-8-18(9-12-28)4-6-24(30)22-15-20-5-7-25(31)29-13-10-21(16-22)26(20)29/h1-3,14-16,18H,4-13,17H2
InChIKey
RAYMNBAAUXRZHA-UHFFFAOYSA-N
Compound name
6-[3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28
Patents

420.2213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.22858 206.3
[M+Na]+ 443.21052 217.9
[M+NH4]+ 438.25512 213.5
[M+K]+ 459.18446 210.7
[M-H]- 419.21402 209.8
[M+Na-2H]- 441.19597 209.3
[M]+ 420.22075 208.7
[M]- 420.22185 208.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe