CID 9672209

477732-09-5

Structural Information

Molecular Formula
C16H11Cl2N3O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C(=O)NC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C16H11Cl2N3O4/c17-10-2-1-3-11(14(10)18)20-15(22)16(23)21-19-7-9-4-5-12-13(6-9)25-8-24-12/h1-7H,8H2,(H,20,22)(H,21,23)/b19-7+
InChIKey
VMYYEMBRAKDDNG-FBCYGCLPSA-N
Compound name
N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2,3-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 184.5
[M+Na]+ 402.00188 196.4
[M+NH4]+ 397.04648 191.1
[M+K]+ 417.97582 191.8
[M-H]- 378.00538 191.0
[M+Na-2H]- 399.98733 189.1
[M]+ 379.01211 188.3
[M]- 379.01321 188.3
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.