CID 6857951

5h-dibenzo(a,d)cyclooctene-5-propylamine, 10,11,12-trihydro-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C21H27N
SMILES
CN(C)CCCC1/C=C\C2=C(CCC=C2)CC3=CC=CC=C13
InChI
InChI=1S/C21H27N/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/h3,5-6,8,10,12-14,18H,4,7,9,11,15-16H2,1-2H3/b14-13-
InChIKey
NBXMWTHGSVIEIE-YPKPFQOOSA-N
Compound name
N,N-dimethyl-3-[(10Z)-9-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.221636 169.1
[M+Na]+ 316.203578 172.9
[M-H]- 292.207084 171.6
[M+NH4]+ 311.248183 177.0
[M+K]+ 332.177518 171.7
[M+H-H2O]+ 276.211620 164.2
[M+HCOO]- 338.212561 177.6
[M+CH3COO]- 352.228211 172.9
[M+Na-2H]- 314.189026 168.7
[M]+ 293.21381142 168.7
[M]- 293.21490858 168.7
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.