CID 51060806

N'-(5-bromo-2-(2-propynyloxy)benzylidene)-2-(2,3-dichlorophenoxy)acetohydrazide

Structural Information

Molecular Formula
C18H13BrCl2N2O3
SMILES
C#CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)COC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C18H13BrCl2N2O3/c1-2-8-25-15-7-6-13(19)9-12(15)10-22-23-17(24)11-26-16-5-3-4-14(20)18(16)21/h1,3-7,9-10H,8,11H2,(H,23,24)/b22-10+
InChIKey
VAQXPXNQECHCCB-LSHDLFTRSA-N
Compound name
N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.94867 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.95595 189.9
[M+Na]+ 476.93789 204.0
[M-H]- 452.94139 195.8
[M+NH4]+ 471.98249 202.6
[M+K]+ 492.91183 187.7
[M+H-H2O]+ 436.94593 182.5
[M+HCOO]- 498.94687 201.6
[M+CH3COO]- 512.96252 231.3
[M+Na-2H]- 474.92334 191.7
[M]+ 453.94812 207.0
[M]- 453.94922 207.0
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.