CID 367676

Nsc637607

Structural Information

Molecular Formula
C19H20N2O2S
SMILES
CCC1=CC=CC(=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C
InChI
InChI=1S/C19H20N2O2S/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)24-16/h4-10,16H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
YUICUTSNDOALGJ-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.12454 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13182 178.4
[M+Na]+ 363.11376 184.7
[M-H]- 339.11726 182.7
[M+NH4]+ 358.15836 191.1
[M+K]+ 379.08770 178.1
[M+H-H2O]+ 323.12180 170.1
[M+HCOO]- 385.12274 190.8
[M+CH3COO]- 399.13839 211.6
[M+Na-2H]- 361.09921 179.1
[M]+ 340.12399 177.8
[M]- 340.12509 177.8
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.