CID 45055114

2-(2,3-dichlorophenoxy)-n'-(3,4,5-trimethoxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C18H18Cl2N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)COC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C18H18Cl2N2O5/c1-24-14-7-11(8-15(25-2)18(14)26-3)9-21-22-16(23)10-27-13-6-4-5-12(19)17(13)20/h4-9H,10H2,1-3H3,(H,22,23)/b21-9+
InChIKey
HWJRVKSSAXVUJJ-ZVBGSRNCSA-N
Compound name
2-(2,3-dichlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.05927 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06655 191.0
[M+Na]+ 435.04849 200.1
[M-H]- 411.05199 199.0
[M+NH4]+ 430.09309 203.6
[M+K]+ 451.02243 196.0
[M+H-H2O]+ 395.05653 183.7
[M+HCOO]- 457.05747 208.4
[M+CH3COO]- 471.07312 228.3
[M+Na-2H]- 433.03394 192.5
[M]+ 412.05872 202.5
[M]- 412.05982 202.5
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.