CID 9633513

765303-45-5

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C17H16ClN3O2/c1-2-12-7-9-14(10-8-12)20-16(22)17(23)21-19-11-13-5-3-4-6-15(13)18/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKey
ASPJNDJYYQSCBM-YBFXNURJSA-N
Compound name
N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0931 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.100376 177.5
[M+Na]+ 352.082318 183.8
[M-H]- 328.085824 185.4
[M+NH4]+ 347.126923 191.9
[M+K]+ 368.056258 178.6
[M+H-H2O]+ 312.090360 169.4
[M+HCOO]- 374.091301 200.0
[M+CH3COO]- 388.106951 215.3
[M+Na-2H]- 350.067766 181.1
[M]+ 329.09255142 179.8
[M]- 329.09364858 179.8
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.