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]+ 304.205976 175.8
[M+Na]+ 326.187918 181.7
[M-H]- 302.191424 185.3
[M+NH4]+ 321.232523 196.1
[M+K]+ 342.161858 178.8
[M+H-H2O]+ 286.195960 169.6
[M+HCOO]- 348.196901 195.8
[M+CH3COO]- 362.212551 186.7
[M+Na-2H]- 324.173366 179.6
[M]+ 303.19815142 172.2
[M]- 303.19924858 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.