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 169.0
[M+Na]+ 323.15524 173.1
[M-H]- 299.15874 174.2
[M+NH4]+ 318.19984 184.8
[M+K]+ 339.12918 173.0
[M+H-H2O]+ 283.16328 162.0
[M+HCOO]- 345.16422 182.1
[M+CH3COO]- 359.17987 178.6
[M+Na-2H]- 321.14069 172.0
[M]+ 300.16547 167.6
[M]- 300.16657 167.6
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.