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]+ 351.20671 185.8
[M+Na]+ 373.18865 192.1
[M-H]- 349.19215 190.8
[M+NH4]+ 368.23325 199.0
[M+K]+ 389.16259 184.9
[M+H-H2O]+ 333.19669 175.5
[M+HCOO]- 395.19763 201.1
[M+CH3COO]- 409.21328 194.5
[M+Na-2H]- 371.17410 187.9
[M]+ 350.19888 183.2
[M]- 350.19998 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.