CID 6434736

Brn 1261680

Structural Information

Molecular Formula
C15H13NO6
SMILES
COC1=C(C=C(C=C1)C(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-])OC
InChI
InChI=1S/C15H13NO6/c1-20-13-7-3-10(9-14(13)21-2)12(17)6-4-11-5-8-15(22-11)16(18)19/h3-9H,1-2H3/b6-4-
InChIKey
JZQVHYCRRGPXSZ-XQRVVYSFSA-N
Compound name
(Z)-1-(3,4-dimethoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07428 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08156 166.2
[M+Na]+ 326.06350 178.6
[M+NH4]+ 321.10810 172.0
[M+K]+ 342.03744 178.2
[M-H]- 302.06700 170.4
[M+Na-2H]- 324.04895 170.9
[M]+ 303.07373 168.9
[M]- 303.07483 168.9
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.