CID 9616241

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

Structural Information

Molecular Formula
C16H15N3O5
SMILES
COC1=CC=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15N3O5/c1-23-15-4-2-3-12(9-15)10-17-18-16(20)11-24-14-7-5-13(6-8-14)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKey
FLDMDIKVUTVFRE-LICLKQGHSA-N
Compound name
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.10117 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.108446 172.8
[M+Na]+ 352.090388 177.0
[M-H]- 328.093894 180.5
[M+NH4]+ 347.134993 185.1
[M+K]+ 368.064328 171.0
[M+H-H2O]+ 312.098430 167.7
[M+HCOO]- 374.099371 200.7
[M+CH3COO]- 388.115021 208.0
[M+Na-2H]- 350.075836 179.8
[M]+ 329.10062142 174.2
[M]- 329.10171858 174.2
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.