CID 3039899

N,n-dimethylspiro(5h-dibenzo(a,d)cycloheptene-5,1'-cyclopentane)-3'-methylamine oxalate

Structural Information

Molecular Formula
C22H25N
SMILES
CN(C)CC1CCC2(C1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C22H25N/c1-23(2)16-17-13-14-22(15-17)20-9-5-3-7-18(20)11-12-19-8-4-6-10-21(19)22/h3-12,17H,13-16H2,1-2H3
InChIKey
PZQLPMVXKFIIER-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-spiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1987 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20598 173.5
[M+Na]+ 326.18792 185.2
[M+NH4]+ 321.23252 184.9
[M+K]+ 342.16186 177.0
[M-H]- 302.19142 179.6
[M+Na-2H]- 324.17337 181.6
[M]+ 303.19815 177.3
[M]- 303.19925 177.3
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.