CID 782472

332057-98-4

Structural Information

Molecular Formula
C15H11N3O4
SMILES
CNC(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])/C#N
InChI
InChI=1S/C15H11N3O4/c1-17-15(19)11(9-16)8-13-5-6-14(22-13)10-3-2-4-12(7-10)18(20)21/h2-8H,1H3,(H,17,19)/b11-8+
InChIKey
OGQNTBFUBRUDRI-DHZHZOJOSA-N
Compound name
(E)-2-cyano-N-methyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07495 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08223 169.8
[M+Na]+ 320.06417 180.4
[M+NH4]+ 315.10877 172.4
[M+K]+ 336.03811 176.1
[M-H]- 296.06767 167.0
[M+Na-2H]- 318.04962 171.9
[M]+ 297.07440 169.3
[M]- 297.07550 169.3
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.