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]+ 365.22238 189.0
[M+Na]+ 387.20432 193.8
[M-H]- 363.20782 197.5
[M+NH4]+ 382.24892 200.7
[M+K]+ 403.17826 192.0
[M+H-H2O]+ 347.21236 178.7
[M+HCOO]- 409.21330 198.9
[M+CH3COO]- 423.22895 197.0
[M+Na-2H]- 385.18977 190.3
[M]+ 364.21455 182.3
[M]- 364.21565 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.