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]+ 294.22164 169.1
[M+Na]+ 316.20358 172.9
[M-H]- 292.20708 171.6
[M+NH4]+ 311.24818 177.0
[M+K]+ 332.17752 171.7
[M+H-H2O]+ 276.21162 164.2
[M+HCOO]- 338.21256 177.6
[M+CH3COO]- 352.22821 172.9
[M+Na-2H]- 314.18903 168.7
[M]+ 293.21381 168.7
[M]- 293.21491 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.