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 170.5
[M+Na]+ 355.02786 178.0
[M-H]- 331.03136 175.0
[M+NH4]+ 350.07246 184.3
[M+K]+ 371.00180 170.7
[M+H-H2O]+ 315.03590 163.6
[M+HCOO]- 377.03684 179.6
[M+CH3COO]- 391.05249 180.3
[M+Na-2H]- 353.01331 173.1
[M]+ 332.03809 170.8
[M]- 332.03919 170.8
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.