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

literature stripe

Patent stripe

patents stripe