CID 45054675

N-(2-(2-(2-bromobenzylidene)hydrazino)-2-oxoethyl)-3,4-dichlorobenzamide

Structural Information

Molecular Formula
C16H12BrCl2N3O2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C16H12BrCl2N3O2/c17-12-4-2-1-3-11(12)8-21-22-15(23)9-20-16(24)10-5-6-13(18)14(19)7-10/h1-8H,9H2,(H,20,24)(H,22,23)/b21-8+
InChIKey
BYQKEPTVXBCYOD-ODCIPOBUSA-N
Compound name
N-[2-[(2E)-2-[(2-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.949 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.95628 184.7
[M+Na]+ 449.93822 195.2
[M-H]- 425.94172 194.0
[M+NH4]+ 444.98282 199.5
[M+K]+ 465.91216 180.1
[M+H-H2O]+ 409.94626 182.7
[M+HCOO]- 471.94720 199.7
[M+CH3COO]- 485.96285 225.5
[M+Na-2H]- 447.92367 188.3
[M]+ 426.94845 206.2
[M]- 426.94955 206.2
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.