CID 10587770

73394-24-8

Structural Information

Molecular Formula
C16H11NOS
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4S3
InChI
InChI=1S/C16H11NOS/c1-17-12-8-4-2-6-10(12)15(18)16-14(17)11-7-3-5-9-13(11)19-16/h2-9H,1H3
InChIKey
ATWGXYAUDNNZFU-UHFFFAOYSA-N
Compound name
5-methyl-[1]benzothiolo[3,2-b]quinolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05612 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06340 155.6
[M+Na]+ 288.04534 170.7
[M-H]- 264.04884 162.8
[M+NH4]+ 283.08994 177.5
[M+K]+ 304.01928 164.1
[M+H-H2O]+ 248.05338 149.7
[M+HCOO]- 310.05432 175.2
[M+CH3COO]- 324.06997 170.3
[M+Na-2H]- 286.03079 162.9
[M]+ 265.05557 163.5
[M]- 265.05667 163.5
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

No patent data available for this compound.