CID 9637897

3,4-dichloro-n-(2-(2-(3-methoxybenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C17H15Cl2N3O3
SMILES
COC1=CC=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H15Cl2N3O3/c1-25-13-4-2-3-11(7-13)9-21-22-16(23)10-20-17(24)12-5-6-14(18)15(19)8-12/h2-9H,10H2,1H3,(H,20,24)(H,22,23)/b21-9+
InChIKey
HJYAHLBRLOUNHD-ZVBGSRNCSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.04904 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.05632 186.3
[M+Na]+ 402.03826 193.6
[M-H]- 378.04176 193.7
[M+NH4]+ 397.08286 199.3
[M+K]+ 418.01220 188.0
[M+H-H2O]+ 362.04630 179.1
[M+HCOO]- 424.04724 203.9
[M+CH3COO]- 438.06289 223.3
[M+Na-2H]- 400.02371 188.5
[M]+ 379.04849 191.9
[M]- 379.04959 191.9
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.