CID 9578422

15970-86-2

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1COCCN1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O5/c15-10(13-3-5-18-6-4-13)12-11-7-8-1-2-9(19-8)14(16)17/h1-2,7H,3-6H2,(H,12,15)/b11-7+
InChIKey
NVAUCWNDTOEUTI-YRNVUSSQSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.08078 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.088056 156.9
[M+Na]+ 291.069998 160.1
[M-H]- 267.073504 164.3
[M+NH4]+ 286.114603 169.3
[M+K]+ 307.043938 157.3
[M+H-H2O]+ 251.078040 152.9
[M+HCOO]- 313.078981 180.3
[M+CH3COO]- 327.094631 192.3
[M+Na-2H]- 289.055446 164.7
[M]+ 268.08023142 154.0
[M]- 268.08132858 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.