CID 45055104

2-(2-(3-(allyloxy)benzylidene)hydrazino)-n-(2,5-dichlorophenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C18H15Cl2N3O3
SMILES
C=CCOC1=CC=CC(=C1)/C=N/NC(=O)C(=O)NC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C18H15Cl2N3O3/c1-2-8-26-14-5-3-4-12(9-14)11-21-23-18(25)17(24)22-16-10-13(19)6-7-15(16)20/h2-7,9-11H,1,8H2,(H,22,24)(H,23,25)/b21-11+
InChIKey
BQHRJSFADYCQOH-SRZZPIQSSA-N
Compound name
N-(2,5-dichlorophenyl)-N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.04904 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.05632 190.4
[M+Na]+ 414.03826 197.6
[M-H]- 390.04176 197.6
[M+NH4]+ 409.08286 202.9
[M+K]+ 430.01220 191.2
[M+H-H2O]+ 374.04630 183.0
[M+HCOO]- 436.04724 207.8
[M+CH3COO]- 450.06289 224.8
[M+Na-2H]- 412.02371 192.0
[M]+ 391.04849 195.5
[M]- 391.04959 195.5
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.