CID 9584141

350795-20-9

Structural Information

Molecular Formula
C13H9Cl2N3O2S
SMILES
C1=CSC(=C1)/C=N/NC(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2N3O2S/c14-10-4-3-8(6-11(10)15)17-12(19)13(20)18-16-7-9-2-1-5-21-9/h1-7H,(H,17,19)(H,18,20)/b16-7+
InChIKey
UYDBTMARSAFJAX-FRKPEAEDSA-N
Compound name
N-(3,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.97925 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.98653 177.0
[M+Na]+ 363.96847 185.1
[M-H]- 339.97197 185.1
[M+NH4]+ 359.01307 193.9
[M+K]+ 379.94241 178.9
[M+H-H2O]+ 323.97651 171.2
[M+HCOO]- 385.97745 191.0
[M+CH3COO]- 399.99310 210.9
[M+Na-2H]- 361.95392 177.3
[M]+ 340.97870 181.8
[M]- 340.97980 181.8
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.