CID 29287

18833-67-5

Structural Information

Molecular Formula
C20H28N2S
SMILES
CCN(CC)CCSC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C20H28N2S/c1-3-22(4-2)14-15-23-20-16-10-6-5-7-12-18(16)21-19-13-9-8-11-17(19)20/h8-9,11,13H,3-7,10,12,14-15H2,1-2H3
InChIKey
UPZDDZGWXIZQGZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

328.19733 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20461 177.5
[M+Na]+ 351.18655 180.8
[M-H]- 327.19005 182.3
[M+NH4]+ 346.23115 192.2
[M+K]+ 367.16049 180.2
[M+H-H2O]+ 311.19459 170.2
[M+HCOO]- 373.19553 189.9
[M+CH3COO]- 387.21118 186.3
[M+Na-2H]- 349.17200 179.6
[M]+ 328.19678 176.7
[M]- 328.19788 176.7
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.