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]+ 333.196146 182.0
[M+Na]+ 355.178088 189.1
[M-H]- 331.181594 188.3
[M+NH4]+ 350.222693 194.9
[M+K]+ 371.152028 181.1
[M+H-H2O]+ 315.186130 171.7
[M+HCOO]- 377.187071 198.7
[M+CH3COO]- 391.202721 191.4
[M+Na-2H]- 353.163536 182.6
[M]+ 332.18832142 179.1
[M]- 332.18941858 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.