CID 51060983

N-(2-(2-(5-bromo-2-(2-propynyloxy)benzylidene)hydrazino)-2-oxoethyl)-3,4-dichlorobenzamide

Structural Information

Molecular Formula
C19H14BrCl2N3O3
SMILES
C#CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C19H14BrCl2N3O3/c1-2-7-28-17-6-4-14(20)8-13(17)10-24-25-18(26)11-23-19(27)12-3-5-15(21)16(22)9-12/h1,3-6,8-10H,7,11H2,(H,23,27)(H,25,26)/b24-10+
InChIKey
YMOUAYTUURAHJS-YSURURNPSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.95956 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.96684 199.7
[M+Na]+ 503.94878 212.3
[M-H]- 479.95228 205.2
[M+NH4]+ 498.99338 210.8
[M+K]+ 519.92272 195.9
[M+H-H2O]+ 463.95682 191.5
[M+HCOO]- 525.95776 211.0
[M+CH3COO]- 539.97341 237.5
[M+Na-2H]- 501.93423 199.9
[M]+ 480.95901 215.1
[M]- 480.96011 215.1
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.