CID 45051364

853351-29-8

Structural Information

Molecular Formula
C21H18N2O5
SMILES
CCOC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H18N2O5/c1-2-27-18-8-6-16(7-9-18)22-21(24)13-11-19-10-12-20(28-19)15-4-3-5-17(14-15)23(25)26/h3-14H,2H2,1H3,(H,22,24)/b13-11+
InChIKey
QTQSODZMDIGTBD-ACCUITESSA-N
Compound name
(E)-N-(4-ethoxyphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12158 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12886 189.5
[M+Na]+ 401.11080 202.7
[M+NH4]+ 396.15540 195.5
[M+K]+ 417.08474 200.2
[M-H]- 377.11430 197.1
[M+Na-2H]- 399.09625 196.8
[M]+ 378.12103 193.3
[M]- 378.12213 193.3
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.