CID 372006

Nsc646822

Structural Information

Molecular Formula
C17H14N2O5S
SMILES
COC1=CC=CC=C1NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O
InChI
InChI=1S/C17H14N2O5S/c1-24-12-8-4-2-6-10(12)18-16(21)14(20)15-17(22)19-11-7-3-5-9-13(11)25(15)23/h2-9,15H,1H3,(H,18,21)(H,19,22)
InChIKey
ZXVIFYTUOVPUQV-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06963 177.3
[M+Na]+ 381.05157 183.8
[M-H]- 357.05507 181.9
[M+NH4]+ 376.09617 188.6
[M+K]+ 397.02551 179.1
[M+H-H2O]+ 341.05961 169.2
[M+HCOO]- 403.06055 190.2
[M+CH3COO]- 417.07620 212.1
[M+Na-2H]- 379.03702 178.8
[M]+ 358.06180 178.3
[M]- 358.06290 178.3
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.