CID 366123

Nsc634410

Structural Information

Molecular Formula
C19H20N2O4S
SMILES
CCC1=CC=CC(=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C
InChI
InChI=1S/C19H20N2O4S/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)26(16,24)25/h4-10,16H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
WBXORJWVWHXNKO-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-2-(1,1,3-trioxo-4H-1lambda6,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.11438 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12166 183.4
[M+Na]+ 395.10360 191.4
[M-H]- 371.10710 188.1
[M+NH4]+ 390.14820 196.7
[M+K]+ 411.07754 185.5
[M+H-H2O]+ 355.11164 175.6
[M+HCOO]- 417.11258 196.4
[M+CH3COO]- 431.12823 215.7
[M+Na-2H]- 393.08905 185.4
[M]+ 372.11383 185.1
[M]- 372.11493 185.1
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.