CID 9610225

4-(2-(3,4-dichlorobenzylidene)hydrazino)-n-(3-methylphenyl)-4-oxobutanamide

Structural Information

Molecular Formula
C18H17Cl2N3O2
SMILES
CC1=CC(=CC=C1)NC(=O)CCC(=O)N/N=C/C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H17Cl2N3O2/c1-12-3-2-4-14(9-12)22-17(24)7-8-18(25)23-21-11-13-5-6-15(19)16(20)10-13/h2-6,9-11H,7-8H2,1H3,(H,22,24)(H,23,25)/b21-11+
InChIKey
NBUKQDOKYUSROH-SRZZPIQSSA-N
Compound name
N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0698 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.07708 188.8
[M+Na]+ 400.05902 195.8
[M-H]- 376.06252 195.9
[M+NH4]+ 395.10362 201.9
[M+K]+ 416.03296 189.2
[M+H-H2O]+ 360.06706 181.5
[M+HCOO]- 422.06800 205.7
[M+CH3COO]- 436.08365 224.1
[M+Na-2H]- 398.04447 190.3
[M]+ 377.06925 193.3
[M]- 377.07035 193.3
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.