CID 216141

Icig 865

Structural Information

Molecular Formula
C23H26N2O
SMILES
CCC1=C(C2=CC=CC=C2N1)CC3CN(CCC3=O)CC4=CC=CC=C4
InChI
InChI=1S/C23H26N2O/c1-2-21-20(19-10-6-7-11-22(19)24-21)14-18-16-25(13-12-23(18)26)15-17-8-4-3-5-9-17/h3-11,18,24H,2,12-16H2,1H3
InChIKey
WNWCECVCVRZVRO-UHFFFAOYSA-N
Compound name
1-benzyl-3-[(2-ethyl-1H-indol-3-yl)methyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21178 186.5
[M+Na]+ 369.19372 193.0
[M-H]- 345.19722 192.5
[M+NH4]+ 364.23832 198.7
[M+K]+ 385.16766 184.9
[M+H-H2O]+ 329.20176 176.0
[M+HCOO]- 391.20270 202.8
[M+CH3COO]- 405.21835 195.4
[M+Na-2H]- 367.17917 186.5
[M]+ 346.20395 183.9
[M]- 346.20505 183.9
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.