CID 1547750

853351-16-3

Structural Information

Molecular Formula
C20H16N2O5
SMILES
COC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O5/c1-26-17-7-5-15(6-8-17)21-20(23)12-10-18-9-11-19(27-18)14-3-2-4-16(13-14)22(24)25/h2-13H,1H3,(H,21,23)/b12-10+
InChIKey
SHXIVJKFGAYDPD-ZRDIBKRKSA-N
Compound name
(E)-N-(4-methoxyphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10593 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11321 186.2
[M+Na]+ 387.09515 190.9
[M-H]- 363.09865 196.8
[M+NH4]+ 382.13975 197.0
[M+K]+ 403.06909 183.8
[M+H-H2O]+ 347.10319 181.5
[M+HCOO]- 409.10413 211.3
[M+CH3COO]- 423.11978 209.7
[M+Na-2H]- 385.08060 190.4
[M]+ 364.10538 187.0
[M]- 364.10648 187.0
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.