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 195.8
[M+Na]+ 482.99435 206.4
[M-H]- 458.99785 202.8
[M+NH4]+ 478.03895 206.4
[M+K]+ 498.96829 198.1
[M+H-H2O]+ 443.00239 189.1
[M+HCOO]- 505.00333 200.3
[M+CH3COO]- 519.01898 204.6
[M+Na-2H]- 480.97980 198.7
[M]+ 460.00458 200.5
[M]- 460.00568 200.5
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.