CID 5388129

7-((cyanoacetyl)hydrazono)-n-(2,4-dichlorophenyl)-5-oxooctanamide

Structural Information

Molecular Formula
C17H18Cl2N4O3
SMILES
C/C(=N\NC(=O)CC#N)/CC(=O)CCCC(=O)NC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C17H18Cl2N4O3/c1-11(22-23-17(26)7-8-20)9-13(24)3-2-4-16(25)21-15-6-5-12(18)10-14(15)19/h5-6,10H,2-4,7,9H2,1H3,(H,21,25)(H,23,26)/b22-11+
InChIKey
GWDWEJWVGHQIPQ-SSDVNMTOSA-N
Compound name
(7E)-7-[(2-cyanoacetyl)hydrazinylidene]-N-(2,4-dichlorophenyl)-5-oxooctanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.0756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.08288 195.9
[M+Na]+ 419.06482 202.9
[M-H]- 395.06832 199.0
[M+NH4]+ 414.10942 206.7
[M+K]+ 435.03876 197.6
[M+H-H2O]+ 379.07286 183.5
[M+HCOO]- 441.07380 207.5
[M+CH3COO]- 455.08945 235.5
[M+Na-2H]- 417.05027 193.5
[M]+ 396.07505 195.5
[M]- 396.07615 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.