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]+ 330.24275 183.3
[M+Na]+ 352.22469 182.2
[M-H]- 328.22819 192.3
[M+NH4]+ 347.26929 192.9
[M+K]+ 368.19863 180.7
[M+H-H2O]+ 312.23273 171.5
[M+HCOO]- 374.23367 192.0
[M+CH3COO]- 388.24932 190.0
[M+Na-2H]- 350.21014 184.1
[M]+ 329.23492 171.5
[M]- 329.23602 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.