CID 27323

Ethylamine, 2-(5h-dibenzo(a,d)cyclohepten-5-yloxy)-n,n-dimethyl-, maleate (1:1)

Structural Information

Molecular Formula
C19H21NO
SMILES
CN(C)CCOC1C2=CC=CC=C2C=CC3=CC=CC=C13
InChI
InChI=1S/C19H21NO/c1-20(2)13-14-21-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-12,19H,13-14H2,1-2H3
InChIKey
DUONCNQHPXEHDQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

279.16232 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.169596 164.1
[M+Na]+ 302.151538 170.1
[M-H]- 278.155044 171.8
[M+NH4]+ 297.196143 181.8
[M+K]+ 318.125478 170.6
[M+H-H2O]+ 262.159580 158.6
[M+HCOO]- 324.160521 186.2
[M+CH3COO]- 338.176171 175.9
[M+Na-2H]- 300.136986 171.1
[M]+ 279.16177142 164.6
[M]- 279.16286858 164.6
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

patents stripe