CID 3039887

N-methylspiro(5h-dibenzo(a,d)cycloheptene-5,1'-cyclopentan)-3'-amine maleate

Structural Information

Molecular Formula
C20H21N
SMILES
CNC1CCC2(C1)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C20H21N/c1-21-17-12-13-20(14-17)18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-11,17,21H,12-14H2,1H3
InChIKey
NOEZBIUJJYKSRD-UHFFFAOYSA-N
Compound name
N-methylspiro[cyclopentane-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1674 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17468 166.9
[M+Na]+ 298.15662 173.7
[M-H]- 274.16012 175.5
[M+NH4]+ 293.20122 187.8
[M+K]+ 314.13056 169.8
[M+H-H2O]+ 258.16466 161.2
[M+HCOO]- 320.16560 187.2
[M+CH3COO]- 334.18125 178.2
[M+Na-2H]- 296.14207 172.5
[M]+ 275.16685 161.7
[M]- 275.16795 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.