CID 366120

Nsc634407

Structural Information

Molecular Formula
C16H12Cl2N2O3S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2=O)CC(=O)NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O3S/c17-9-5-6-10(18)12(7-9)19-15(21)8-14-16(22)20-11-3-1-2-4-13(11)24(14)23/h1-7,14H,8H2,(H,19,21)(H,20,22)
InChIKey
JOYSVACVDYUTMT-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.99457 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.00185 178.4
[M+Na]+ 404.98379 187.8
[M-H]- 380.98729 183.0
[M+NH4]+ 400.02839 191.1
[M+K]+ 420.95773 180.0
[M+H-H2O]+ 364.99183 172.7
[M+HCOO]- 426.99277 182.8
[M+CH3COO]- 441.00842 187.9
[M+Na-2H]- 402.96924 179.2
[M]+ 381.99402 181.5
[M]- 381.99512 181.5
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.