CID 29292

18833-70-0

Structural Information

Molecular Formula
C19H25ClN2S
SMILES
CN(C)CCCSC1=C2CCCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H25ClN2S/c1-22(2)11-6-12-23-19-15-7-4-3-5-8-17(15)21-18-10-9-14(20)13-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
GQHNTQYBOOGITB-UHFFFAOYSA-N
Compound name
3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1427 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14998 178.5
[M+Na]+ 371.13192 190.2
[M+NH4]+ 366.17652 187.9
[M+K]+ 387.10586 180.4
[M-H]- 347.13542 182.8
[M+Na-2H]- 369.11737 183.9
[M]+ 348.14215 182.3
[M]- 348.14325 182.3
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.