CID 9682476

767301-75-7

Structural Information

Molecular Formula
C20H21Cl2N3O3
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C20H21Cl2N3O3/c1-2-3-10-28-16-7-4-14(5-8-16)12-24-25-19(26)13-23-20(27)15-6-9-17(21)18(22)11-15/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,27)(H,25,26)/b24-12+
InChIKey
VCEHCIPXCBPTMZ-WYMPLXKRSA-N
Compound name
N-[2-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.10328 199.7
[M+Na]+ 444.08522 205.6
[M-H]- 420.08872 206.5
[M+NH4]+ 439.12982 211.0
[M+K]+ 460.05916 199.4
[M+H-H2O]+ 404.09326 191.8
[M+HCOO]- 466.09420 216.2
[M+CH3COO]- 480.10985 232.0
[M+Na-2H]- 442.07067 200.4
[M]+ 421.09545 206.3
[M]- 421.09655 206.3
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.