CID 218386

40536-23-0

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CN1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C23H28N2O2/c1-24-12-14-25(15-13-24)16-20-17-26-23(27-20)21-8-4-2-6-18(21)10-11-19-7-3-5-9-22(19)23/h2-9,20H,10-17H2,1H3
InChIKey
WCLXWFPTDHCMTJ-UHFFFAOYSA-N
Compound name
1-methyl-4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 189.0
[M+Na]+ 387.204318 193.8
[M-H]- 363.207824 197.5
[M+NH4]+ 382.248923 200.7
[M+K]+ 403.178258 192.0
[M+H-H2O]+ 347.212360 178.7
[M+HCOO]- 409.213301 198.9
[M+CH3COO]- 423.228951 197.0
[M+Na-2H]- 385.189766 190.3
[M]+ 364.21455142 182.3
[M]- 364.21564858 182.3
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.