CID 9616267

303064-69-9

Structural Information

Molecular Formula
C13H11N3O5
SMILES
C1=COC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O5/c17-13(15-14-8-12-2-1-7-20-12)9-21-11-5-3-10(4-6-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8+
InChIKey
YSKKWSZLIIBYLL-RIYZIHGNSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0699 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07718 163.0
[M+Na]+ 312.05912 173.5
[M+NH4]+ 307.10372 168.9
[M+K]+ 328.03306 173.0
[M-H]- 288.06262 168.6
[M+Na-2H]- 310.04457 169.0
[M]+ 289.06935 165.6
[M]- 289.07045 165.6
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.