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 174.9
[M+Na]+ 357.11626 181.3
[M-H]- 333.11976 180.2
[M+NH4]+ 352.16086 190.7
[M+K]+ 373.09020 180.0
[M+H-H2O]+ 317.12430 168.2
[M+HCOO]- 379.12524 183.8
[M+CH3COO]- 393.14089 184.6
[M+Na-2H]- 355.10171 177.0
[M]+ 334.12649 175.8
[M]- 334.12759 175.8
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.