CID 6857952

3-(3-dimethylaminopropylidene)-5h-dibenzo(a,d)(1,4)cyclooctadiene hydrochloride

Structural Information

Molecular Formula
C21H25N
SMILES
CN(C)CC/C=C\1/C=C\C2=C(CCC=C2)CC3=CC=CC=C31
InChI
InChI=1S/C21H25N/c1-22(2)15-7-11-18-14-13-17-8-3-4-9-19(17)16-20-10-5-6-12-21(18)20/h3,5-6,8,10-14H,4,7,9,15-16H2,1-2H3/b14-13-,18-11-
InChIKey
FXDBVVWLKMOTHC-BHPKBXJWSA-N
Compound name
(3Z)-N,N-dimethyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenylidene]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 166.3
[M+Na]+ 314.18792 170.6
[M+NH4]+ 309.23252 169.4
[M+K]+ 330.16186 167.9
[M-H]- 290.19142 168.0
[M+Na-2H]- 312.17337 168.9
[M]+ 291.19815 167.4
[M]- 291.19925 167.4
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.