CID 9908587

7x2u66kmp7

Structural Information

Molecular Formula
C24H28FN3O
SMILES
CNC(=O)CC1=CC2=C(C=C1)C=CN2C3CCN(CC3)CCC4=CC=CC=C4F
InChI
InChI=1S/C24H28FN3O/c1-26-24(29)17-18-6-7-20-9-15-28(23(20)16-18)21-10-13-27(14-11-21)12-8-19-4-2-3-5-22(19)25/h2-7,9,15-16,21H,8,10-14,17H2,1H3,(H,26,29)
InChIKey
CQEOXWCXSBFJMB-UHFFFAOYSA-N
Compound name
2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

23
Patents

393.22165 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.228926 197.0
[M+Na]+ 416.210868 202.4
[M-H]- 392.214374 202.9
[M+NH4]+ 411.255473 207.6
[M+K]+ 432.184808 194.9
[M+H-H2O]+ 376.218910 184.9
[M+HCOO]- 438.219851 213.5
[M+CH3COO]- 452.235501 204.9
[M+Na-2H]- 414.196316 196.1
[M]+ 393.22110142 194.3
[M]- 393.22219858 194.3
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