CID 215846

36431-82-0

Structural Information

Molecular Formula
C26H34N2O
SMILES
C1CCC(CC1)(CC(=O)N2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H34N2O/c29-25(22-26(15-8-3-9-16-26)24-12-6-2-7-13-24)28-20-18-27(19-21-28)17-14-23-10-4-1-5-11-23/h1-2,4-7,10-13H,3,8-9,14-22H2
InChIKey
BKEYXHHICDVSOT-UHFFFAOYSA-N
Compound name
2-(1-phenylcyclohexyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

390.26712 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.27440 201.3
[M+Na]+ 413.25634 200.6
[M-H]- 389.25984 207.6
[M+NH4]+ 408.30094 209.5
[M+K]+ 429.23028 194.3
[M+H-H2O]+ 373.26438 187.5
[M+HCOO]- 435.26532 211.9
[M+CH3COO]- 449.28097 206.4
[M+Na-2H]- 411.24179 200.2
[M]+ 390.26657 191.6
[M]- 390.26767 191.6
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.