CID 34206

28312-77-8

Structural Information

Molecular Formula
C18H20ClN
SMILES
C1CC2=CC=CC=C2CN(CC3=CC=CC=C31)CCCl
InChI
InChI=1S/C18H20ClN/c19-11-12-20-13-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)14-20/h1-8H,9-14H2
InChIKey
QWKQIPXLIGROLQ-UHFFFAOYSA-N
Compound name
6-(2-chloroethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12842 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13570 186.1
[M+Na]+ 308.11764 188.5
[M+NH4]+ 303.16224 187.6
[M+K]+ 324.09158 185.9
[M-H]- 284.12114 186.8
[M+Na-2H]- 306.10309 186.2
[M]+ 285.12787 186.8
[M]- 285.12897 186.8
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.