CID 54728414

Pf-9184

Structural Information

Molecular Formula
C21H14Cl2N2O4S
SMILES
C1=CC=C2C(=C1)C(=C(NS2(=O)=O)C(=O)NC3=CC=C(C=C3)C4=CC(=C(C=C4)Cl)Cl)O
InChI
InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
InChIKey
VGACSWBJQLLJFB-UHFFFAOYSA-N
Compound name
N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

460.00513 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.01241 199.8
[M+Na]+ 482.99435 216.5
[M+NH4]+ 478.03895 208.4
[M+K]+ 498.96829 204.1
[M-H]- 458.99785 205.3
[M+Na-2H]- 480.97980 209.8
[M]+ 460.00458 205.0
[M]- 460.00568 205.0
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.