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]+ 335.175396 178.9
[M+Na]+ 357.157338 183.6
[M-H]- 333.160844 183.4
[M+NH4]+ 352.201943 190.2
[M+K]+ 373.131278 176.4
[M+H-H2O]+ 317.165380 168.9
[M+HCOO]- 379.166321 193.7
[M+CH3COO]- 393.181971 187.2
[M+Na-2H]- 355.142786 180.4
[M]+ 334.16757142 174.0
[M]- 334.16866858 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.