CID 51060930

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

Structural Information

Molecular Formula
C16H13Cl2N3O3
SMILES
C1=CC(=CC(=C1)O)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O3/c17-13-5-4-11(7-14(13)18)16(24)19-9-15(23)21-20-8-10-2-1-3-12(22)6-10/h1-8,22H,9H2,(H,19,24)(H,21,23)/b20-8+
InChIKey
YEGAKHVQZMOLQM-DNTJNYDQSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0334 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.040676 181.4
[M+Na]+ 388.022618 188.7
[M-H]- 364.026124 187.7
[M+NH4]+ 383.067223 194.4
[M+K]+ 403.996558 182.6
[M+H-H2O]+ 348.030660 174.8
[M+HCOO]- 410.031601 197.9
[M+CH3COO]- 424.047251 218.2
[M+Na-2H]- 386.008066 183.8
[M]+ 365.03285142 184.9
[M]- 365.03394858 184.9
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.