CID 9688587

2-(2-(5-br-2-(2-propynyloxy)benzylidene)hydrazino)n-(3,4-di-cl-ph)2-oxoacetamide

Structural Information

Molecular Formula
C18H12BrCl2N3O3
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/C18H12BrCl2N3O3/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/h1,3-6,8-10H,7H2,(H,23,25)(H,24,26)/b22-10+
InChIKey
WCNYPUSZJBKPOU-LSHDLFTRSA-N
Compound name
N'-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.9439 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.95118 196.3
[M+Na]+ 489.93312 209.3
[M-H]- 465.93662 202.0
[M+NH4]+ 484.97772 208.0
[M+K]+ 505.90706 193.1
[M+H-H2O]+ 449.94116 188.3
[M+HCOO]- 511.94210 207.9
[M+CH3COO]- 525.95775 234.6
[M+Na-2H]- 487.91857 196.9
[M]+ 466.94335 211.4
[M]- 466.94445 211.4
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.