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]+ 306.22164 172.0
[M+Na]+ 328.20358 175.6
[M-H]- 304.20708 174.5
[M+NH4]+ 323.24818 179.7
[M+K]+ 344.17752 174.3
[M+H-H2O]+ 288.21162 167.1
[M+HCOO]- 350.21256 180.0
[M+CH3COO]- 364.22821 175.5
[M+Na-2H]- 326.18903 170.7
[M]+ 305.21381 171.1
[M]- 305.21491 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.