CID 6857947

5h-dibenzo(a,d)cyclooctene, 10,11,12-trihydro-5-(2-(dimethylamino)ethoxy)-, hydrogen maleate

Structural Information

Molecular Formula
C20H25NO
SMILES
CN(C)CCOC1/C=C\C2=C(CCC=C2)CC3=CC=CC=C13
InChI
InChI=1S/C20H25NO/c1-21(2)13-14-22-20-12-11-16-7-3-4-8-17(16)15-18-9-5-6-10-19(18)20/h3,5-7,9-12,20H,4,8,13-15H2,1-2H3/b12-11-
InChIKey
MJIXPWNUEWAWNQ-QXMHVHEDSA-N
Compound name
N,N-dimethyl-2-[[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenyl]oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 168.5
[M+Na]+ 318.182818 172.5
[M-H]- 294.186324 171.1
[M+NH4]+ 313.227423 176.4
[M+K]+ 334.156758 171.6
[M+H-H2O]+ 278.190860 163.6
[M+HCOO]- 340.191801 177.3
[M+CH3COO]- 354.207451 172.4
[M+Na-2H]- 316.168266 168.3
[M]+ 295.19305142 168.6
[M]- 295.19414858 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.