CID 3004187

Nsc635529

Structural Information

Molecular Formula
C16H9Cl3N2O2S
SMILES
C1=CC=C2C(=C1)NC(=O)/C(=C(/C(=O)NC3=C(C=C(C=C3)Cl)Cl)\Cl)/S2
InChI
InChI=1S/C16H9Cl3N2O2S/c17-8-5-6-10(9(18)7-8)20-15(22)13(19)14-16(23)21-11-3-1-2-4-12(11)24-14/h1-7H,(H,20,22)(H,21,23)/b14-13+
InChIKey
GVEAUJUYJNAZHM-BUHFOSPRSA-N
Compound name
(2E)-2-chloro-N-(2,4-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.94504 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.95232 178.3
[M+Na]+ 420.93426 186.7
[M-H]- 396.93776 181.6
[M+NH4]+ 415.97886 190.3
[M+K]+ 436.90820 178.7
[M+H-H2O]+ 380.94230 173.7
[M+HCOO]- 442.94324 176.7
[M+CH3COO]- 456.95889 186.7
[M+Na-2H]- 418.91971 178.0
[M]+ 397.94449 179.6
[M]- 397.94559 179.6
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.