CID 212871

25224-23-1

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CCCCC(=O)C1(CCN(CC1)CCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C22H34N2O2/c1-2-3-9-21(25)22(20-7-5-4-6-8-20)10-12-23(13-11-22)14-15-24-16-18-26-19-17-24/h4-8H,2-3,9-19H2,1H3
InChIKey
CVLOHHMOOQSUDS-UHFFFAOYSA-N
Compound name
1-[1-(2-morpholin-4-ylethyl)-4-phenylpiperidin-4-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 192.4
[M+Na]+ 381.25124 192.4
[M-H]- 357.25474 196.8
[M+NH4]+ 376.29584 201.5
[M+K]+ 397.22518 189.3
[M+H-H2O]+ 341.25928 180.7
[M+HCOO]- 403.26022 202.6
[M+CH3COO]- 417.27587 214.0
[M+Na-2H]- 379.23669 192.1
[M]+ 358.26147 186.5
[M]- 358.26257 186.5
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.