CID 118735

4'-piperidinomethylspiro(5h-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane) maleate

Structural Information

Molecular Formula
C23H25NO2
SMILES
C1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4C=CC5=CC=CC=C35
InChI
InChI=1S/C23H25NO2/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/h2-5,8-13,20H,1,6-7,14-17H2
InChIKey
VOIDKHUOZNNFJN-UHFFFAOYSA-N
Compound name
1-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 183.7
[M+Na]+ 370.17776 188.6
[M-H]- 346.18126 193.7
[M+NH4]+ 365.22236 197.2
[M+K]+ 386.15170 186.7
[M+H-H2O]+ 330.18580 175.1
[M+HCOO]- 392.18674 196.3
[M+CH3COO]- 406.20239 192.6
[M+Na-2H]- 368.16321 186.8
[M]+ 347.18799 177.5
[M]- 347.18909 177.5
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.