CID 6857953

5h-dibenzo(a,d)cyclooctene-delta(sup 5),gamma-propylamine, 10,11,12-trihydro-beta,n,n-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C22H27N
SMILES
CC(CN(C)C)/C=C\1/C=C\C2=C(CCC=C2)CC3=CC=CC=C31
InChI
InChI=1S/C22H27N/c1-17(16-23(2)3)14-21-13-12-18-8-4-5-9-19(18)15-20-10-6-7-11-22(20)21/h4,6-8,10-14,17H,5,9,15-16H2,1-3H3/b13-12-,21-14-
InChIKey
INVSHPGLOBMPKI-MWQUPTALSA-N
Compound name
(3Z)-N,N,2-trimethyl-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

305.21436 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.221636 172.0
[M+Na]+ 328.203578 175.6
[M-H]- 304.207084 174.5
[M+NH4]+ 323.248183 179.7
[M+K]+ 344.177518 174.3
[M+H-H2O]+ 288.211620 167.1
[M+HCOO]- 350.212561 180.0
[M+CH3COO]- 364.228211 175.5
[M+Na-2H]- 326.189026 170.7
[M]+ 305.21381142 171.1
[M]- 305.21490858 171.1
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.