CID 507037

7,7-dimethyl-8h-benzofuro[5,6-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)N=CS4)C
InChI
InChI=1S/C15H11NO3S/c1-15(2)5-9-12(17)7-3-10-11(20-6-16-10)4-8(7)13(18)14(9)19-15/h3-4,6H,5H2,1-2H3
InChIKey
UJAWMMFDVYVYLC-UHFFFAOYSA-N
Compound name
7,7-dimethyl-8H-[1]benzofuro[5,6-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]+ 286.053236 160.4
[M+Na]+ 308.035178 174.7
[M-H]- 284.038684 168.0
[M+NH4]+ 303.079783 183.9
[M+K]+ 324.009118 171.1
[M+H-H2O]+ 268.043220 156.6
[M+HCOO]- 330.044161 176.6
[M+CH3COO]- 344.059811 174.8
[M+Na-2H]- 306.020626 164.2
[M]+ 285.04541142 168.3
[M]- 285.04650858 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.