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 175.8
[M+Na]+ 326.18792 181.7
[M-H]- 302.19142 185.3
[M+NH4]+ 321.23252 196.1
[M+K]+ 342.16186 178.8
[M+H-H2O]+ 286.19596 169.6
[M+HCOO]- 348.19690 195.8
[M+CH3COO]- 362.21255 186.7
[M+Na-2H]- 324.17337 179.6
[M]+ 303.19815 172.2
[M]- 303.19925 172.2
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.