CID 372886

Nsc648598

Structural Information

Molecular Formula
C18H16N2O5S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O
InChI
InChI=1S/C18H16N2O5S/c1-2-25-12-9-7-11(8-10-12)19-17(22)15(21)16-18(23)20-13-5-3-4-6-14(13)26(16)24/h3-10,16H,2H2,1H3,(H,19,22)(H,20,23)
InChIKey
WSIBVDIYOZHPHF-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.078 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08528 181.6
[M+Na]+ 395.06722 187.6
[M-H]- 371.07072 186.0
[M+NH4]+ 390.11182 192.3
[M+K]+ 411.04116 182.7
[M+H-H2O]+ 355.07526 173.2
[M+HCOO]- 417.07620 194.2
[M+CH3COO]- 431.09185 215.1
[M+Na-2H]- 393.05267 182.6
[M]+ 372.07745 182.9
[M]- 372.07855 182.9
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.