CID 1120847

300700-39-4

Structural Information

Molecular Formula
C18H15N3O5
SMILES
C1COCCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C#N
InChI
InChI=1S/C18H15N3O5/c19-12-14(18(22)20-6-8-25-9-7-20)11-16-4-5-17(26-16)13-2-1-3-15(10-13)21(23)24/h1-5,10-11H,6-9H2/b14-11+
InChIKey
NQTBYWMUDKAJNJ-SDNWHVSQSA-N
Compound name
(E)-2-(morpholine-4-carbonyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

353.10117 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10845 183.2
[M+Na]+ 376.09039 194.0
[M+NH4]+ 371.13499 185.2
[M+K]+ 392.06433 190.0
[M-H]- 352.09389 181.9
[M+Na-2H]- 374.07584 184.8
[M]+ 353.10062 183.2
[M]- 353.10172 183.2
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.