CID 507038

7-methylbenzofuro[6,5-f][1,3]benzothiazole-5,9-dione

Structural Information

Molecular Formula
C14H7NO3S
SMILES
CC1=CC2=C(O1)C(=O)C3=CC4=C(C=C3C2=O)SC=N4
InChI
InChI=1S/C14H7NO3S/c1-6-2-9-12(16)8-4-11-10(15-5-19-11)3-7(8)13(17)14(9)18-6/h2-5H,1H3
InChIKey
PPGGJWMIFITZIZ-UHFFFAOYSA-N
Compound name
7-methyl-[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

269.01468 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.02196 155.6
[M+Na]+ 292.00390 170.5
[M-H]- 268.00740 163.8
[M+NH4]+ 287.04850 178.0
[M+K]+ 307.97784 167.0
[M+H-H2O]+ 252.01194 151.9
[M+HCOO]- 314.01288 173.8
[M+CH3COO]- 328.02853 170.7
[M+Na-2H]- 289.98935 159.4
[M]+ 269.01413 164.3
[M]- 269.01523 164.3
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.