CID 51060949

N'-(5-bromo-2-(2-propynyloxy)benzylidene)-2-(2-chlorophenoxy)acetohydrazide

Structural Information

Molecular Formula
C18H14BrClN2O3
SMILES
C#CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)COC2=CC=CC=C2Cl
InChI
InChI=1S/C18H14BrClN2O3/c1-2-9-24-16-8-7-14(19)10-13(16)11-21-22-18(23)12-25-17-6-4-3-5-15(17)20/h1,3-8,10-11H,9,12H2,(H,22,23)/b21-11+
InChIKey
VBIULACHEAYCHM-SRZZPIQSSA-N
Compound name
N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(2-chlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.98764 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.99492 186.2
[M+Na]+ 442.97686 198.9
[M-H]- 418.98036 192.2
[M+NH4]+ 438.02146 199.2
[M+K]+ 458.95080 183.6
[M+H-H2O]+ 402.98490 177.7
[M+HCOO]- 464.98584 202.1
[M+CH3COO]- 479.00149 227.0
[M+Na-2H]- 440.96231 189.0
[M]+ 419.98709 202.0
[M]- 419.98819 202.0
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.