CID 3052093

Anc-306

Structural Information

Molecular Formula
C21H31NO2
SMILES
C1CCC(CC1)C2(OCC(CO2)N3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H31NO2/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)23-16-20(17-24-21)22-14-8-3-9-15-22/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2
InChIKey
RPDRMTWQJKOLTE-UHFFFAOYSA-N
Compound name
1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 183.3
[M+Na]+ 352.224688 182.2
[M-H]- 328.228194 192.3
[M+NH4]+ 347.269293 192.9
[M+K]+ 368.198628 180.7
[M+H-H2O]+ 312.232730 171.5
[M+HCOO]- 374.233671 192.0
[M+CH3COO]- 388.249321 190.0
[M+Na-2H]- 350.210136 184.1
[M]+ 329.23492142 171.5
[M]- 329.23601858 171.5
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.