CID 3065496

1,2-ethanediamine, n,n-diethyl-n'-(7,8,9,10-tetrahydro-6h-cyclohepta(b)quinolin-11-yl)-, dihydrochloride

Structural Information

Molecular Formula
C20H29N3
SMILES
CCN(CC)CCNC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C20H29N3/c1-3-23(4-2)15-14-21-20-16-10-6-5-7-12-18(16)22-19-13-9-8-11-17(19)20/h8-9,11,13H,3-7,10,12,14-15H2,1-2H3,(H,21,22)
InChIKey
XEZYKGUFKJDLOW-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.23615 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.24343 176.2
[M+Na]+ 334.22537 185.9
[M+NH4]+ 329.26997 184.4
[M+K]+ 350.19931 178.6
[M-H]- 310.22887 180.5
[M+Na-2H]- 332.21082 181.5
[M]+ 311.23560 178.8
[M]- 311.23670 178.8
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.