CID 45054317

N-(2-(2-(3-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(=CC=C2)Cl
InChI
InChI=1S/C18H18ClN3O3/c1-2-25-16-8-6-14(7-9-16)18(24)20-12-17(23)22-21-11-13-4-3-5-15(19)10-13/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)/b21-11+
InChIKey
VTJXMCZXQCAWJD-SRZZPIQSSA-N
Compound name
N-[2-[(2E)-2-[(3-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 195.5
[M+NH4]+ 377.13749 190.3
[M+K]+ 398.06683 188.0
[M-H]- 358.09639 188.7
[M+Na-2H]- 380.07834 191.5
[M]+ 359.10312 187.0
[M]- 359.10422 187.0
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.