CID 3032684

18833-49-3

Structural Information

Molecular Formula
C14H15NS
SMILES
C1CCC2=C(CC1)NC3=CC=CC=C3C2=S
InChI
InChI=1S/C14H15NS/c16-14-10-6-2-1-3-8-12(10)15-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,15,16)
InChIKey
YBOMISGYHLRBLJ-UHFFFAOYSA-N
Compound name
5,6,7,8,9,10-hexahydrocyclohepta[b]quinoline-11-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09251 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09979 148.2
[M+Na]+ 252.08173 154.8
[M-H]- 228.08523 151.8
[M+NH4]+ 247.12633 165.9
[M+K]+ 268.05567 152.7
[M+H-H2O]+ 212.08977 143.3
[M+HCOO]- 274.09071 160.1
[M+CH3COO]- 288.10636 159.0
[M+Na-2H]- 250.06718 152.9
[M]+ 229.09196 142.8
[M]- 229.09306 142.8
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.