CID 377060

Nsc658275

Structural Information

Molecular Formula
C19H14N2O3S
SMILES
CCOC1=CC=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H14N2O3S/c1-2-24-12-9-7-11(8-10-12)20-19-21-15-16(22)13-5-3-4-6-14(13)17(23)18(15)25-19/h3-10H,2H2,1H3,(H,20,21)
InChIKey
BOMLWVXIGKCJOI-UHFFFAOYSA-N
Compound name
2-(4-ethoxyanilino)benzo[f][1,3]benzothiazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0725 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07978 178.7
[M+Na]+ 373.06172 188.8
[M-H]- 349.06522 186.6
[M+NH4]+ 368.10632 194.8
[M+K]+ 389.03566 182.9
[M+H-H2O]+ 333.06976 171.0
[M+HCOO]- 395.07070 196.0
[M+CH3COO]- 409.08635 190.1
[M+Na-2H]- 371.04717 181.7
[M]+ 350.07195 183.7
[M]- 350.07305 183.7
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.