CID 507036

7,7-dimethyl-8h-benzofuro[6,5-f][1,3]benzothiazole-5,9-dione

Structural Information

Molecular Formula
C15H11NO3S
SMILES
CC1(CC2=C(O1)C(=O)C3=CC4=C(C=C3C2=O)SC=N4)C
InChI
InChI=1S/C15H11NO3S/c1-15(2)5-9-12(17)8-4-11-10(16-6-20-11)3-7(8)13(18)14(9)19-15/h3-4,6H,5H2,1-2H3
InChIKey
QJPXJEGLRNOSMA-UHFFFAOYSA-N
Compound name
7,7-dimethyl-8H-[1]benzofuro[6,5-f][1,3]benzothiazole-5,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.04596 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05324 160.4
[M+Na]+ 308.03518 174.7
[M-H]- 284.03868 168.0
[M+NH4]+ 303.07978 183.9
[M+K]+ 324.00912 171.1
[M+H-H2O]+ 268.04322 156.6
[M+HCOO]- 330.04416 176.6
[M+CH3COO]- 344.05981 174.8
[M+Na-2H]- 306.02063 164.2
[M]+ 285.04541 168.3
[M]- 285.04651 168.3
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

No patent data available for this compound.