CID 3044949

8-methyl-2-(gamma-(p-fluorobenzoyl)propyl)-2,3,4,4a,5,9b-hexahydro-1h-pyrido(3,4-b)indole 2hcl

Structural Information

Molecular Formula
C22H25FN2O
SMILES
CC1=CC2=C(C=C1)NC3C2CN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H25FN2O/c1-15-4-9-20-18(13-15)19-14-25(12-10-21(19)24-20)11-2-3-22(26)16-5-7-17(23)8-6-16/h4-9,13,19,21,24H,2-3,10-12,14H2,1H3
InChIKey
RKRCSBVUHKDOLG-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.1951 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20238 188.6
[M+Na]+ 375.18432 200.6
[M+NH4]+ 370.22892 196.2
[M+K]+ 391.15826 193.8
[M-H]- 351.18782 190.8
[M+Na-2H]- 373.16977 192.1
[M]+ 352.19455 190.8
[M]- 352.19565 190.8
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

patents stripe