CID 9665542

N'-(4-(benzyloxy)-3-methoxybenzylidene)-2-(4-nitrophenoxy)acetohydrazide

Structural Information

Molecular Formula
C23H21N3O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3
InChI
InChI=1S/C23H21N3O6/c1-30-22-13-18(7-12-21(22)32-15-17-5-3-2-4-6-17)14-24-25-23(27)16-31-20-10-8-19(9-11-20)26(28)29/h2-14H,15-16H2,1H3,(H,25,27)/b24-14+
InChIKey
IBZOVULWRKWWIH-ZVHZXABRSA-N
Compound name
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.14304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.15032 202.1
[M+Na]+ 458.13226 204.3
[M-H]- 434.13576 212.1
[M+NH4]+ 453.17686 209.2
[M+K]+ 474.10620 197.5
[M+H-H2O]+ 418.14030 194.4
[M+HCOO]- 480.14124 228.5
[M+CH3COO]- 494.15689 228.3
[M+Na-2H]- 456.11771 207.5
[M]+ 435.14249 204.6
[M]- 435.14359 204.6
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.