CID 136806669

3,4-dichloro-n-(2-(2-(2-ho-5-methoxybenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C17H15Cl2N3O4
SMILES
COC1=CC(=C(C=C1)O)C=NNC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H15Cl2N3O4/c1-26-12-3-5-15(23)11(6-12)8-21-22-16(24)9-20-17(25)10-2-4-13(18)14(19)7-10/h2-8,23H,9H2,1H3,(H,20,25)(H,22,24)
InChIKey
ISOKBAZTBUDGHM-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[2-[2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.04398 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.05126 188.1
[M+Na]+ 418.03320 195.7
[M-H]- 394.03670 194.7
[M+NH4]+ 413.07780 200.1
[M+K]+ 434.00714 190.3
[M+H-H2O]+ 378.04124 181.4
[M+HCOO]- 440.04218 204.5
[M+CH3COO]- 454.05783 224.6
[M+Na-2H]- 416.01865 189.5
[M]+ 395.04343 193.8
[M]- 395.04453 193.8
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.