CID 5280707

Furylfuramide

Structural Information

Molecular Formula
C11H8N2O5
SMILES
C1=COC(=C1)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C(=O)N
InChI
InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-
InChIKey
LYAHJFZLDZDIOH-VURMDHGXSA-N
Compound name
(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

186
References

1091
Patents

248.04332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05060 154.0
[M+Na]+ 271.03254 160.4
[M-H]- 247.03604 162.4
[M+NH4]+ 266.07714 169.9
[M+K]+ 287.00648 156.6
[M+H-H2O]+ 231.04058 152.3
[M+HCOO]- 293.04152 180.5
[M+CH3COO]- 307.05717 185.3
[M+Na-2H]- 269.01799 159.3
[M]+ 248.04277 154.7
[M]- 248.04387 154.7
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

patents stripe