CID 9639347

N-(2-(2-(4-chlorobenzylidene)hydrazino)-2-oxoethyl)-4-ethoxybenzamide

Structural Information

Molecular Formula
C18H18ClN3O3
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H18ClN3O3/c1-2-25-16-9-5-14(6-10-16)18(24)20-12-17(23)22-21-11-13-3-7-15(19)8-4-13/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)/b21-11+
InChIKey
UUXBYUYZOZJEML-SRZZPIQSSA-N
Compound name
N-[2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.10367 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11095 184.1
[M+Na]+ 382.09289 189.6
[M-H]- 358.09639 191.7
[M+NH4]+ 377.13749 197.1
[M+K]+ 398.06683 185.0
[M+H-H2O]+ 342.10093 175.5
[M+HCOO]- 404.10187 206.4
[M+CH3COO]- 418.11752 221.1
[M+Na-2H]- 380.07834 187.3
[M]+ 359.10312 188.1
[M]- 359.10422 188.1
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.