CID 135643334

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

Structural Information

Molecular Formula
C17H17N3O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=CC=C2[N+](=O)[O-])O
InChI
InChI=1S/C17H17N3O6/c1-2-25-16-9-12(7-8-14(16)21)10-18-19-17(22)11-26-15-6-4-3-5-13(15)20(23)24/h3-10,21H,2,11H2,1H3,(H,19,22)/b18-10+
InChIKey
IPMUZUIAFNMIPQ-VCHYOVAHSA-N
Compound name
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11172 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.118996 179.5
[M+Na]+ 382.100938 183.4
[M-H]- 358.104444 185.9
[M+NH4]+ 377.145543 190.0
[M+K]+ 398.074878 177.2
[M+H-H2O]+ 342.108980 174.4
[M+HCOO]- 404.109921 205.7
[M+CH3COO]- 418.125571 211.9
[M+Na-2H]- 380.086386 185.2
[M]+ 359.11117142 181.1
[M]- 359.11226858 181.1
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.