CID 11646648

Sv293

Structural Information

Molecular Formula
C22H26N2O2S
SMILES
COC1=CC2=C(C=C1)NC=C2CN3CCC(CC3)(C4=CC=C(C=C4)SC)O
InChI
InChI=1S/C22H26N2O2S/c1-26-18-5-8-21-20(13-18)16(14-23-21)15-24-11-9-22(25,10-12-24)17-3-6-19(27-2)7-4-17/h3-8,13-14,23,25H,9-12,15H2,1-2H3
InChIKey
LIFHVPXIKLLTMH-UHFFFAOYSA-N
Compound name
1-[(5-methoxy-1H-indol-3-yl)methyl]-4-(4-methylsulfanylphenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

382.1715 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17878 190.3
[M+Na]+ 405.16072 204.3
[M+NH4]+ 400.20532 200.0
[M+K]+ 421.13466 193.7
[M-H]- 381.16422 195.6
[M+Na-2H]- 403.14617 199.0
[M]+ 382.17095 194.6
[M]- 382.17205 194.6
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