CID 103643

Spiro(5h-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(ethylamino)methyl-, 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]+ 308.164506 171.8
[M+Na]+ 330.146448 178.5
[M-H]- 306.149954 181.4
[M+NH4]+ 325.191053 188.8
[M+K]+ 346.120388 178.0
[M+H-H2O]+ 290.154490 166.0
[M+HCOO]- 352.155431 190.5
[M+CH3COO]- 366.171081 183.0
[M+Na-2H]- 328.131896 178.8
[M]+ 307.15668142 170.4
[M]- 307.15777858 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.