CID 828263

[1]benzothieno[3,2-b]quinoline

Structural Information

Molecular Formula
C15H9NS
SMILES
C1=CC=C2C(=C1)C=C3C(=N2)C4=CC=CC=C4S3
InChI
InChI=1S/C15H9NS/c1-3-7-12-10(5-1)9-14-15(16-12)11-6-2-4-8-13(11)17-14/h1-9H
InChIKey
XCXCAIVVLIUTPJ-UHFFFAOYSA-N
Compound name
[1]benzothiolo[3,2-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

235.04558 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05286 146.5
[M+Na]+ 258.03480 160.5
[M-H]- 234.03830 153.2
[M+NH4]+ 253.07940 169.3
[M+K]+ 274.00874 154.1
[M+H-H2O]+ 218.04284 140.6
[M+HCOO]- 280.04378 166.3
[M+CH3COO]- 294.05943 161.3
[M+Na-2H]- 256.02025 155.7
[M]+ 235.04503 152.6
[M]- 235.04613 152.6
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.