CID 135560382

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

Structural Information

Molecular Formula
C17H17N3O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C17H17N3O6/c1-2-25-16-9-12(3-8-15(16)21)10-18-19-17(22)11-26-14-6-4-13(5-7-14)20(23)24/h3-10,21H,2,11H2,1H3,(H,19,22)/b18-10+
InChIKey
HNCPBVPNRNYUDC-VCHYOVAHSA-N
Compound name
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-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]+ 360.11900 179.5
[M+Na]+ 382.10094 183.4
[M-H]- 358.10444 185.9
[M+NH4]+ 377.14554 190.0
[M+K]+ 398.07488 177.2
[M+H-H2O]+ 342.10898 174.4
[M+HCOO]- 404.10992 205.7
[M+CH3COO]- 418.12557 211.9
[M+Na-2H]- 380.08639 185.2
[M]+ 359.11117 181.1
[M]- 359.11227 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.