CID 3061092

4-(4-chlorophenyl)-3-(1-piperidinylmethyl)-1-oxaspiro(4.5)decan-2-one hydrochloride

Structural Information

Molecular Formula
C21H28ClNO2
SMILES
C1CCC2(CC1)C(C(C(=O)O2)CN3CCCCC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H28ClNO2/c22-17-9-7-16(8-10-17)19-18(15-23-13-5-2-6-14-23)20(24)25-21(19)11-3-1-4-12-21/h7-10,18-19H,1-6,11-15H2
InChIKey
QQCUVFJLYBMZHJ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-(piperidin-1-ylmethyl)-1-oxaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.18085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18813 188.4
[M+Na]+ 384.17007 200.8
[M+NH4]+ 379.21467 198.9
[M+K]+ 400.14401 191.8
[M-H]- 360.17357 196.2
[M+Na-2H]- 382.15552 195.5
[M]+ 361.18030 192.8
[M]- 361.18140 192.8
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.