CID 3065088

Pacyl

Structural Information

Molecular Formula
C16H13ClN2O2S
SMILES
C1=CC=C2C(=C1)N(C(=O)C(S2)CC(=O)N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H13ClN2O2S/c17-10-4-3-5-11(8-10)19-12-6-1-2-7-13(12)22-14(16(19)21)9-15(18)20/h1-8,14H,9H2,(H2,18,20)
InChIKey
JCGSLOYVYMZDSF-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

332.03864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04592 171.7
[M+Na]+ 355.02786 180.5
[M-H]- 331.03136 177.4
[M+NH4]+ 350.07246 186.1
[M+K]+ 371.00180 173.6
[M+H-H2O]+ 315.03590 164.7
[M+HCOO]- 377.03684 181.6
[M+CH3COO]- 391.05249 182.2
[M+Na-2H]- 353.01331 172.9
[M]+ 332.03809 173.3
[M]- 332.03919 173.3
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.