CID 115693

64036-57-3

Structural Information

Molecular Formula
C23H27NO2
SMILES
C1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C23H27NO2/c1-6-14-24(15-7-1)16-20-17-25-23(26-20)21-10-4-2-8-18(21)12-13-19-9-3-5-11-22(19)23/h2-5,8-11,20H,1,6-7,12-17H2
InChIKey
PWMAMTOENBNOMA-UHFFFAOYSA-N
Compound name
1-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 184.3
[M+Na]+ 372.19342 188.2
[M-H]- 348.19692 193.8
[M+NH4]+ 367.23802 197.6
[M+K]+ 388.16736 186.3
[M+H-H2O]+ 332.20146 175.6
[M+HCOO]- 394.20240 195.5
[M+CH3COO]- 408.21805 192.7
[M+Na-2H]- 370.17887 186.5
[M]+ 349.20365 176.7
[M]- 349.20475 176.7
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.