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]+ 347.211776 186.5
[M+Na]+ 369.193718 193.0
[M-H]- 345.197224 192.5
[M+NH4]+ 364.238323 198.7
[M+K]+ 385.167658 184.9
[M+H-H2O]+ 329.201760 176.0
[M+HCOO]- 391.202701 202.8
[M+CH3COO]- 405.218351 195.4
[M+Na-2H]- 367.179166 186.5
[M]+ 346.20395142 183.9
[M]- 346.20504858 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.