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]+ 252.04776 150.1
[M+Na]+ 274.02970 164.4
[M-H]- 250.03320 155.8
[M+NH4]+ 269.07430 171.6
[M+K]+ 290.00364 157.2
[M+H-H2O]+ 234.03774 144.6
[M+HCOO]- 296.03868 168.6
[M+CH3COO]- 310.05433 164.3
[M+Na-2H]- 272.01515 158.4
[M]+ 251.03993 155.5
[M]- 251.04103 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