CID 366115

Nsc634402

Structural Information

Molecular Formula
C16H12Cl2N2O4S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2(=O)=O)CC(=O)NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O4S/c17-9-5-6-10(18)12(7-9)19-15(21)8-14-16(22)20-11-3-1-2-4-13(11)25(14,23)24/h1-7,14H,8H2,(H,19,21)(H,20,22)
InChIKey
LNYBVFLQHDQIAR-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-2-(1,1,3-trioxo-4H-1lambda6,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.98947 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.99675 179.0
[M+Na]+ 420.97869 189.3
[M-H]- 396.98219 184.0
[M+NH4]+ 416.02329 192.9
[M+K]+ 436.95263 182.0
[M+H-H2O]+ 380.98673 174.0
[M+HCOO]- 442.98767 184.0
[M+CH3COO]- 457.00332 214.5
[M+Na-2H]- 418.96414 181.8
[M]+ 397.98892 183.4
[M]- 397.99002 183.4
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.