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]+ 365.113206 186.2
[M+Na]+ 387.095148 190.9
[M-H]- 363.098654 196.8
[M+NH4]+ 382.139753 197.0
[M+K]+ 403.069088 183.8
[M+H-H2O]+ 347.103190 181.5
[M+HCOO]- 409.104131 211.3
[M+CH3COO]- 423.119781 209.7
[M+Na-2H]- 385.080596 190.4
[M]+ 364.10538142 187.0
[M]- 364.10647858 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.