CID 360692

Nsc623028

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
CCC1=CC=CC(=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C
InChI
InChI=1S/C19H20N2O3S/c1-3-13-8-6-7-12(2)18(13)21-17(22)11-16-19(23)20-14-9-4-5-10-15(14)25(16)24/h4-10,16H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
XVSVWVOBVSNXAB-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-(2-ethyl-6-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11948 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12676 181.5
[M+Na]+ 379.10870 188.6
[M-H]- 355.11220 186.1
[M+NH4]+ 374.15330 193.7
[M+K]+ 395.08264 182.1
[M+H-H2O]+ 339.11674 173.3
[M+HCOO]- 401.11768 194.2
[M+CH3COO]- 415.13333 214.5
[M+Na-2H]- 377.09415 181.7
[M]+ 356.11893 182.0
[M]- 356.12003 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.