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 162.3
[M+Na]+ 312.05912 166.9
[M-H]- 288.06262 170.9
[M+NH4]+ 307.10372 176.5
[M+K]+ 328.03306 162.3
[M+H-H2O]+ 272.06716 158.3
[M+HCOO]- 334.06810 191.1
[M+CH3COO]- 348.08375 197.8
[M+Na-2H]- 310.04457 170.3
[M]+ 289.06935 163.6
[M]- 289.07045 163.6
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.