CID 10514894

58585-17-4

Structural Information

Molecular Formula
C15H9NOS
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C4=CC=CC=C4S3
InChI
InChI=1S/C15H9NOS/c17-14-9-5-1-3-7-11(9)16-13-10-6-2-4-8-12(10)18-15(13)14/h1-8H,(H,16,17)
InChIKey
BARNJCXXNCHRAZ-UHFFFAOYSA-N
Compound name
5H-[1]benzothiolo[3,2-b]quinolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.04048 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.047756 150.1
[M+Na]+ 274.029698 164.4
[M-H]- 250.033204 155.8
[M+NH4]+ 269.074303 171.6
[M+K]+ 290.003638 157.2
[M+H-H2O]+ 234.037740 144.6
[M+HCOO]- 296.038681 168.6
[M+CH3COO]- 310.054331 164.3
[M+Na-2H]- 272.015146 158.4
[M]+ 251.03993142 155.5
[M]- 251.04102858 155.5
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

patents stripe