CID 58727

101670-78-4

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1CNCCC1C(=O)C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C21H22N2O2/c24-21(16-8-10-22-11-9-16)19-13-23-20-7-6-17(12-18(19)20)25-14-15-4-2-1-3-5-15/h1-7,12-13,16,22-23H,8-11,14H2
InChIKey
IMVYEAYZQOEKCO-UHFFFAOYSA-N
Compound name
(5-phenylmethoxy-1H-indol-3-yl)-piperidin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 178.9
[M+Na]+ 357.15734 183.6
[M-H]- 333.16084 183.4
[M+NH4]+ 352.20194 190.2
[M+K]+ 373.13128 176.4
[M+H-H2O]+ 317.16538 168.9
[M+HCOO]- 379.16632 193.7
[M+CH3COO]- 393.18197 187.2
[M+Na-2H]- 355.14279 180.4
[M]+ 334.16757 174.0
[M]- 334.16867 174.0
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.