CID 13338

Ethylamine, n,n-dimethyl-2-((5,6,11,12-tetrahydrodibenzo(a,e)cycloocten-5-yl)oxy)-, fumarate (1:1)

Structural Information

Molecular Formula
C20H25NO
SMILES
CN(C)CCOC1CC2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C20H25NO/c1-21(2)13-14-22-20-15-18-9-4-3-7-16(18)11-12-17-8-5-6-10-19(17)20/h3-10,20H,11-15H2,1-2H3
InChIKey
HOJUHOKTHAVHTK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaenyloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 168.5
[M+Na]+ 318.18282 172.5
[M-H]- 294.18632 171.1
[M+NH4]+ 313.22742 176.4
[M+K]+ 334.15676 171.6
[M+H-H2O]+ 278.19086 163.6
[M+HCOO]- 340.19180 177.3
[M+CH3COO]- 354.20745 172.4
[M+Na-2H]- 316.16827 168.3
[M]+ 295.19305 168.6
[M]- 295.19415 168.6
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.