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 187.2
[M+Na]+ 376.09039 192.5
[M-H]- 352.09389 193.2
[M+NH4]+ 371.13499 194.1
[M+K]+ 392.06433 185.1
[M+H-H2O]+ 336.09843 174.9
[M+HCOO]- 398.09937 200.9
[M+CH3COO]- 412.11502 213.7
[M+Na-2H]- 374.07584 188.3
[M]+ 353.10062 178.5
[M]- 353.10172 178.5
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.