CID 29285

18833-66-4

Structural Information

Molecular Formula
C18H24N2S
SMILES
CN(C)CCSC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C18H24N2S/c1-20(2)12-13-21-18-14-8-4-3-5-10-16(14)19-17-11-7-6-9-15(17)18/h6-7,9,11H,3-5,8,10,12-13H2,1-2H3
InChIKey
XKYCQIAYSYCXEE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16602 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17330 168.6
[M+Na]+ 323.15524 179.4
[M+NH4]+ 318.19984 177.9
[M+K]+ 339.12918 170.4
[M-H]- 299.15874 172.9
[M+Na-2H]- 321.14069 174.4
[M]+ 300.16547 172.0
[M]- 300.16657 172.0
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.