CID 29288

18833-68-6

Structural Information

Molecular Formula
C18H23ClN2S
SMILES
CN(C)CCSC1=C2CCCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H23ClN2S/c1-21(2)10-11-22-18-14-6-4-3-5-7-16(14)20-17-9-8-13(19)12-15(17)18/h8-9,12H,3-7,10-11H2,1-2H3
InChIKey
UAQGTCWZAVCRFX-UHFFFAOYSA-N
Compound name
2-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.12704 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13432 174.2
[M+Na]+ 357.11626 186.2
[M+NH4]+ 352.16086 183.8
[M+K]+ 373.09020 176.5
[M-H]- 333.11976 178.6
[M+Na-2H]- 355.10171 179.8
[M]+ 334.12649 178.1
[M]- 334.12759 178.1
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.