CID 9636320

N-(2-(2-(5-br-2-methoxybenzylidene)hydrazino)-2-oxoethyl)-3,4-dichlorobenzamide

Structural Information

Molecular Formula
C17H14BrCl2N3O3
SMILES
COC1=C(C=C(C=C1)Br)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H14BrCl2N3O3/c1-26-15-5-3-12(18)6-11(15)8-22-23-16(24)9-21-17(25)10-2-4-13(19)14(20)7-10/h2-8H,9H2,1H3,(H,21,25)(H,23,24)/b22-8+
InChIKey
GWHPVJHUSPICBR-GZIVZEMBSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.95956 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.96684 190.9
[M+Na]+ 479.94878 201.6
[M-H]- 455.95228 200.4
[M+NH4]+ 474.99338 204.8
[M+K]+ 495.92272 187.0
[M+H-H2O]+ 439.95682 188.6
[M+HCOO]- 501.95776 205.7
[M+CH3COO]- 515.97341 231.3
[M+Na-2H]- 477.93423 193.5
[M]+ 456.95901 214.3
[M]- 456.96011 214.3
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.