CID 380385

4-piperidinemethanol, 4-phenyl-1-(5-methoxy-3-indolylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C22H26N2O2
SMILES
COC1=CC2=C(C=C1)NC=C2CN3CCC(CC3)(CO)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O2/c1-26-19-7-8-21-20(13-19)17(14-23-21)15-24-11-9-22(16-25,10-12-24)18-5-3-2-4-6-18/h2-8,13-14,23,25H,9-12,15-16H2,1H3
InChIKey
NYVOMBGKIVNSQV-UHFFFAOYSA-N
Compound name
[1-[(5-methoxy-1H-indol-3-yl)methyl]-4-phenylpiperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.206706 185.8
[M+Na]+ 373.188648 192.1
[M-H]- 349.192154 190.8
[M+NH4]+ 368.233253 199.0
[M+K]+ 389.162588 184.9
[M+H-H2O]+ 333.196690 175.5
[M+HCOO]- 395.197631 201.1
[M+CH3COO]- 409.213281 194.5
[M+Na-2H]- 371.174096 187.9
[M]+ 350.19888142 183.2
[M]- 350.19997858 183.2
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

No patent data available for this compound.