CID 103643

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

Structural Information

Molecular Formula
C20H21NO2
SMILES
CCNCC1COC2(O1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C20H21NO2/c1-2-21-13-17-14-22-20(23-17)18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20/h3-12,17,21H,2,13-14H2,1H3
InChIKey
RRCFPIPVCHCOIU-UHFFFAOYSA-N
Compound name
N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 171.8
[M+Na]+ 330.14645 178.5
[M-H]- 306.14995 181.4
[M+NH4]+ 325.19105 188.8
[M+K]+ 346.12039 178.0
[M+H-H2O]+ 290.15449 166.0
[M+HCOO]- 352.15543 190.5
[M+CH3COO]- 366.17108 183.0
[M+Na-2H]- 328.13190 178.8
[M]+ 307.15668 170.4
[M]- 307.15778 170.4
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.