CID 6857952

5h-dibenzo(a,d)cyclooctene-delta(sup 5),gamma-propylamine, 10,11,12-trihydro-n,n-dimethyl-, 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]+ 292.205976 168.5
[M+Na]+ 314.187918 172.6
[M-H]- 290.191424 171.2
[M+NH4]+ 309.232523 176.5
[M+K]+ 330.161858 171.1
[M+H-H2O]+ 274.195960 163.7
[M+HCOO]- 336.196901 177.2
[M+CH3COO]- 350.212551 172.4
[M+Na-2H]- 312.173366 168.2
[M]+ 291.19815142 167.9
[M]- 291.19924858 167.9
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.