CID 600993

106691-39-8

Structural Information

Molecular Formula
C16H13ClN2O2S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C16H13ClN2O2S/c17-10-5-1-2-6-11(10)18-15(20)9-14-16(21)19-12-7-3-4-8-13(12)22-14/h1-8,14H,9H2,(H,18,20)(H,19,21)
InChIKey
PSTSWJHEFVJBSU-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

332.03864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04592 171.3
[M+Na]+ 355.02786 185.1
[M+NH4]+ 350.07246 179.9
[M+K]+ 371.00180 175.2
[M-H]- 331.03136 175.7
[M+Na-2H]- 353.01331 178.4
[M]+ 332.03809 175.2
[M]- 332.03919 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.