CID 27323

5-(2-(dimethylamino)ethoxy)-5h-dibenzo(a,d)cycloheptene maleate

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]+ 280.16960 164.1
[M+Na]+ 302.15154 170.1
[M-H]- 278.15504 171.8
[M+NH4]+ 297.19614 181.8
[M+K]+ 318.12548 170.6
[M+H-H2O]+ 262.15958 158.6
[M+HCOO]- 324.16052 186.2
[M+CH3COO]- 338.17617 175.9
[M+Na-2H]- 300.13699 171.1
[M]+ 279.16177 164.6
[M]- 279.16287 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