CID 135716486

N'-(3-ethoxy-4-hydroxybenzylidene)-2-(4-nitrophenoxy)propanohydrazide

Structural Information

Molecular Formula
C18H19N3O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C18H19N3O6/c1-3-26-17-10-13(4-9-16(17)22)11-19-20-18(23)12(2)27-15-7-5-14(6-8-15)21(24)25/h4-12,22H,3H2,1-2H3,(H,20,23)/b19-11+
InChIKey
ARZJNXWLGYSROV-YBFXNURJSA-N
Compound name
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.12738 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13466 184.1
[M+Na]+ 396.11660 187.3
[M-H]- 372.12010 190.5
[M+NH4]+ 391.16120 194.0
[M+K]+ 412.09054 181.5
[M+H-H2O]+ 356.12464 179.0
[M+HCOO]- 418.12558 209.0
[M+CH3COO]- 432.14123 215.6
[M+Na-2H]- 394.10205 188.2
[M]+ 373.12683 185.5
[M]- 373.12793 185.5
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.