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

25
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

patents stripe