CID 51060816

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

Structural Information

Molecular Formula
C18H17Cl2N3O4
SMILES
COC1=CC=CC(=C1OC)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H17Cl2N3O4/c1-26-15-5-3-4-12(17(15)27-2)9-22-23-16(24)10-21-18(25)11-6-7-13(19)14(20)8-11/h3-9H,10H2,1-2H3,(H,21,25)(H,23,24)/b22-9+
InChIKey
JQNXVIBLKUISNV-LSFURLLWSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.0596 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.06688 193.0
[M+Na]+ 432.04882 200.5
[M-H]- 408.05232 200.6
[M+NH4]+ 427.09342 205.0
[M+K]+ 448.02276 195.6
[M+H-H2O]+ 392.05686 185.6
[M+HCOO]- 454.05780 210.4
[M+CH3COO]- 468.07345 229.6
[M+Na-2H]- 430.03427 194.2
[M]+ 409.05905 200.7
[M]- 409.06015 200.7
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.