CID 3050029

Anc-110

Structural Information

Molecular Formula
C21H31NO2
SMILES
C1CCC(CC1)C2(OCC(O2)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H31NO2/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-17-20(24-21)16-22-14-8-3-9-15-22/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2
InChIKey
ZWIODIFKSVPGCC-UHFFFAOYSA-N
Compound name
1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

329.23547 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.242746 182.0
[M+Na]+ 352.224688 181.9
[M-H]- 328.228194 191.5
[M+NH4]+ 347.269293 193.7
[M+K]+ 368.198628 180.1
[M+H-H2O]+ 312.232730 171.6
[M+HCOO]- 374.233671 193.0
[M+CH3COO]- 388.249321 189.6
[M+Na-2H]- 350.210136 181.0
[M]+ 329.23492142 172.5
[M]- 329.23601858 172.5
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

patents stripe