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]+ 379.128856 191.0
[M+Na]+ 401.110798 195.3
[M-H]- 377.114304 201.4
[M+NH4]+ 396.155403 201.2
[M+K]+ 417.084738 187.9
[M+H-H2O]+ 361.118840 186.0
[M+HCOO]- 423.119781 215.8
[M+CH3COO]- 437.135431 212.7
[M+Na-2H]- 399.096246 194.6
[M]+ 378.12103142 192.1
[M]- 378.12212858 192.1
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.