CID 377057

Nsc658272

Structural Information

Molecular Formula
C19H13NO3S
SMILES
CCOC1=CC=CC=C1C2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H13NO3S/c1-2-23-14-10-6-5-9-13(14)19-20-15-16(21)11-7-3-4-8-12(11)17(22)18(15)24-19/h3-10H,2H2,1H3
InChIKey
GOUFDSJOPONWJD-UHFFFAOYSA-N
Compound name
2-(2-ethoxyphenyl)benzo[f][1,3]benzothiazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0616 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06888 176.3
[M+Na]+ 358.05082 187.5
[M-H]- 334.05432 184.5
[M+NH4]+ 353.09542 193.5
[M+K]+ 374.02476 181.6
[M+H-H2O]+ 318.05886 169.0
[M+HCOO]- 380.05980 192.7
[M+CH3COO]- 394.07545 188.4
[M+Na-2H]- 356.03627 178.3
[M]+ 335.06105 182.0
[M]- 335.06215 182.0
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.