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

5
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 182.0
[M+Na]+ 352.22469 181.9
[M-H]- 328.22819 191.5
[M+NH4]+ 347.26929 193.7
[M+K]+ 368.19863 180.1
[M+H-H2O]+ 312.23273 171.6
[M+HCOO]- 374.23367 193.0
[M+CH3COO]- 388.24932 189.6
[M+Na-2H]- 350.21014 181.0
[M]+ 329.23492 172.5
[M]- 329.23602 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