CID 9608104

2-(2-(2-(allyloxy)-5-bromobenzylidene)hydrazino)-n-(3,4-di-cl-ph)-2-oxoacetamide

Structural Information

Molecular Formula
C18H14BrCl2N3O3
SMILES
C=CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H14BrCl2N3O3/c1-2-7-27-16-6-3-12(19)8-11(16)10-22-24-18(26)17(25)23-13-4-5-14(20)15(21)9-13/h2-6,8-10H,1,7H2,(H,23,25)(H,24,26)/b22-10+
InChIKey
ARDPUCUWHBZPGE-LSHDLFTRSA-N
Compound name
N'-[(E)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.95956 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.96684 194.6
[M+Na]+ 491.94878 205.2
[M-H]- 467.95228 204.0
[M+NH4]+ 486.99338 207.9
[M+K]+ 507.92272 189.9
[M+H-H2O]+ 451.95682 192.2
[M+HCOO]- 513.95776 209.3
[M+CH3COO]- 527.97341 232.8
[M+Na-2H]- 489.93423 196.7
[M]+ 468.95901 217.5
[M]- 468.96011 217.5
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.