CID 32846

25224-22-0

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CCCC(=O)C1(CCN(CC1)C2=CC=CC=C2)CCN3CCOCC3
InChI
InChI=1S/C21H32N2O2/c1-2-6-20(24)21(9-12-22-15-17-25-18-16-22)10-13-23(14-11-21)19-7-4-3-5-8-19/h3-5,7-8H,2,6,9-18H2,1H3
InChIKey
SFDKATJXXCPQNN-UHFFFAOYSA-N
Compound name
1-[4-(2-morpholin-4-ylethyl)-1-phenylpiperidin-4-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.253646 188.1
[M+Na]+ 367.235588 188.6
[M-H]- 343.239094 192.8
[M+NH4]+ 362.280193 197.8
[M+K]+ 383.209528 185.7
[M+H-H2O]+ 327.243630 176.6
[M+HCOO]- 389.244571 198.7
[M+CH3COO]- 403.260221 211.1
[M+Na-2H]- 365.221036 188.4
[M]+ 344.24582142 181.9
[M]- 344.24691858 181.9
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.