CID 118733

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

Structural Information

Molecular Formula
C20H21NO2
SMILES
CN(C)CC1COC2(O1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C20H21NO2/c1-21(2)13-17-14-22-20(23-17)18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20/h3-12,17H,13-14H2,1-2H3
InChIKey
YFUMHXFSAAORCU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 171.9
[M+Na]+ 330.14645 178.8
[M-H]- 306.14995 183.0
[M+NH4]+ 325.19105 189.6
[M+K]+ 346.12039 179.5
[M+H-H2O]+ 290.15449 166.1
[M+HCOO]- 352.15543 191.2
[M+CH3COO]- 366.17108 183.7
[M+Na-2H]- 328.13190 178.2
[M]+ 307.15668 171.6
[M]- 307.15778 171.6
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.