CID 135822493

3,4-dichloro-n-(2-(2-((2-ho-1-naphthyl)methylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C20H15Cl2N3O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H15Cl2N3O3/c21-16-7-5-13(9-17(16)22)20(28)23-11-19(27)25-24-10-15-14-4-2-1-3-12(14)6-8-18(15)26/h1-10,26H,11H2,(H,23,28)(H,25,27)/b24-10+
InChIKey
DPBHZNPUMXKALW-YSURURNPSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.04904 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.05632 193.7
[M+Na]+ 438.03826 201.4
[M-H]- 414.04176 200.6
[M+NH4]+ 433.08286 205.6
[M+K]+ 454.01220 194.6
[M+H-H2O]+ 398.04630 186.6
[M+HCOO]- 460.04724 208.5
[M+CH3COO]- 474.06289 228.9
[M+Na-2H]- 436.02371 196.8
[M]+ 415.04849 198.1
[M]- 415.04959 198.1
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.