CID 59023

Indole, 5-benzyloxy-3-(4-piperidylmethyl)-

Structural Information

Molecular Formula
C21H24N2O
SMILES
C1CNCCC1CC2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C21H24N2O/c1-2-4-17(5-3-1)15-24-19-6-7-21-20(13-19)18(14-23-21)12-16-8-10-22-11-9-16/h1-7,13-14,16,22-23H,8-12,15H2
InChIKey
KZKSUUOMMQAZAV-UHFFFAOYSA-N
Compound name
5-phenylmethoxy-3-(piperidin-4-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

320.18887 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 176.4
[M+Na]+ 343.17809 181.3
[M-H]- 319.18159 180.7
[M+NH4]+ 338.22269 188.5
[M+K]+ 359.15203 173.4
[M+H-H2O]+ 303.18613 166.2
[M+HCOO]- 365.18707 191.8
[M+CH3COO]- 379.20272 184.9
[M+Na-2H]- 341.16354 178.8
[M]+ 320.18832 171.3
[M]- 320.18942 171.3
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