CID 51060242

N'-(4-((4-cl-benzyl)oxy)-3-ethoxybenzylidene)-2-(4-nitrophenoxy)acetohydrazide

Structural Information

Molecular Formula
C24H22ClN3O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H22ClN3O6/c1-2-32-23-13-18(5-12-22(23)34-15-17-3-6-19(25)7-4-17)14-26-27-24(29)16-33-21-10-8-20(9-11-21)28(30)31/h3-14H,2,15-16H2,1H3,(H,27,29)/b26-14+
InChIKey
OVDUARODBHBKEK-VULFUBBASA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.11972 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.12700 215.3
[M+Na]+ 506.10894 218.5
[M-H]- 482.11244 225.2
[M+NH4]+ 501.15354 221.7
[M+K]+ 522.08288 210.3
[M+H-H2O]+ 466.11698 208.5
[M+HCOO]- 528.11792 236.9
[M+CH3COO]- 542.13357 235.8
[M+Na-2H]- 504.09439 218.9
[M]+ 483.11917 221.2
[M]- 483.12027 221.2
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.