CID 366132

Nsc634419

Structural Information

Molecular Formula
C16H12Cl2N2O2S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O2S/c17-9-5-6-10(18)12(7-9)19-15(21)8-14-16(22)20-11-3-1-2-4-13(11)23-14/h1-7,14H,8H2,(H,19,21)(H,20,22)
InChIKey
CCMSAWHHMHLLHC-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.99966 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00694 175.4
[M+Na]+ 388.98888 184.1
[M-H]- 364.99238 179.7
[M+NH4]+ 384.03348 188.7
[M+K]+ 404.96282 176.1
[M+H-H2O]+ 348.99692 169.7
[M+HCOO]- 410.99786 179.6
[M+CH3COO]- 425.01351 184.9
[M+Na-2H]- 386.97433 176.8
[M]+ 365.99911 177.5
[M]- 366.00021 177.5
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.