CID 9607675

2-(2-(1,3-benzodioxol-5-ylmethylene)hydrazino)-n-(3,4-di-cl-ph)-2-oxoacetamide

Structural Information

Molecular Formula
C16H11Cl2N3O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H11Cl2N3O4/c17-11-3-2-10(6-12(11)18)20-15(22)16(23)21-19-7-9-1-4-13-14(5-9)25-8-24-13/h1-7H,8H2,(H,20,22)(H,21,23)/b19-7+
InChIKey
KNWRFDPNYWRJFI-FBCYGCLPSA-N
Compound name
N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3,4-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.01266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.01994 189.0
[M+Na]+ 402.00188 197.0
[M-H]- 378.00538 198.7
[M+NH4]+ 397.04648 202.0
[M+K]+ 417.97582 193.8
[M+H-H2O]+ 362.00992 182.5
[M+HCOO]- 424.01086 204.0
[M+CH3COO]- 438.02651 220.5
[M+Na-2H]- 399.98733 192.6
[M]+ 379.01211 195.0
[M]- 379.01321 195.0
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.