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 168.0
[M+Na]+ 326.06350 174.9
[M-H]- 302.06700 175.9
[M+NH4]+ 321.10810 182.3
[M+K]+ 342.03744 169.8
[M+H-H2O]+ 286.07154 165.4
[M+HCOO]- 348.07248 192.9
[M+CH3COO]- 362.08813 196.5
[M+Na-2H]- 324.04895 172.4
[M]+ 303.07373 172.0
[M]- 303.07483 172.0
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.