CID 216140

Icig 776

Structural Information

Molecular Formula
C22H24N2O
SMILES
CC1=C(C2=CC=CC=C2N1)CC3CN(CCC3=O)CC4=CC=CC=C4
InChI
InChI=1S/C22H24N2O/c1-16-20(19-9-5-6-10-21(19)23-16)13-18-15-24(12-11-22(18)25)14-17-7-3-2-4-8-17/h2-10,18,23H,11-15H2,1H3
InChIKey
JEMVFDMEPWNLEE-UHFFFAOYSA-N
Compound name
1-benzyl-3-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19615 182.0
[M+Na]+ 355.17809 189.1
[M-H]- 331.18159 188.3
[M+NH4]+ 350.22269 194.9
[M+K]+ 371.15203 181.1
[M+H-H2O]+ 315.18613 171.7
[M+HCOO]- 377.18707 198.7
[M+CH3COO]- 391.20272 191.4
[M+Na-2H]- 353.16354 182.6
[M]+ 332.18832 179.1
[M]- 332.18942 179.1
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.