CID 32848

1-(2-morpholinoethyl)-4-phenyl-4-piperidyl phenyl ketone dihydrochloride

Structural Information

Molecular Formula
C24H30N2O2
SMILES
C1CN(CCC1C2=CC=C(C=C2)CCN3CCOCC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H30N2O2/c27-24(23-4-2-1-3-5-23)26-14-11-22(12-15-26)21-8-6-20(7-9-21)10-13-25-16-18-28-19-17-25/h1-9,22H,10-19H2
InChIKey
YXNRMZQDFKXXMY-UHFFFAOYSA-N
Compound name
[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.23074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 195.4
[M+Na]+ 401.21996 195.7
[M-H]- 377.22346 203.0
[M+NH4]+ 396.26456 201.1
[M+K]+ 417.19390 191.1
[M+H-H2O]+ 361.22800 182.2
[M+HCOO]- 423.22894 206.0
[M+CH3COO]- 437.24459 201.4
[M+Na-2H]- 399.20541 194.5
[M]+ 378.23019 187.3
[M]- 378.23129 187.3
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.