CID 5275825

1-[4-[2-(1-piperidyl)ethoxy]phenyl]-2-(1-piperidylmethyl)prop-2-en-1-one

Structural Information

Molecular Formula
C22H32N2O2
SMILES
C=C(CN1CCCCC1)C(=O)C2=CC=C(C=C2)OCCN3CCCCC3
InChI
InChI=1S/C22H32N2O2/c1-19(18-24-14-6-3-7-15-24)22(25)20-8-10-21(11-9-20)26-17-16-23-12-4-2-5-13-23/h8-11H,1-7,12-18H2
InChIKey
JCOPYPKBSLALIQ-UHFFFAOYSA-N
Compound name
1-[4-(2-piperidin-1-ylethoxy)phenyl]-2-(piperidin-1-ylmethyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.24637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 190.4
[M+Na]+ 379.23559 189.1
[M-H]- 355.23909 193.9
[M+NH4]+ 374.28019 198.5
[M+K]+ 395.20953 184.5
[M+H-H2O]+ 339.24363 178.6
[M+HCOO]- 401.24457 200.6
[M+CH3COO]- 415.26022 214.6
[M+Na-2H]- 377.22104 187.5
[M]+ 356.24582 182.3
[M]- 356.24692 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.