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 187.5
[M+Na]+ 375.18432 193.2
[M-H]- 351.18782 189.5
[M+NH4]+ 370.22892 200.6
[M+K]+ 391.15826 185.4
[M+H-H2O]+ 335.19236 177.0
[M+HCOO]- 397.19330 199.0
[M+CH3COO]- 411.20895 195.3
[M+Na-2H]- 373.16977 186.0
[M]+ 352.19455 182.9
[M]- 352.19565 182.9
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

patents stripe