CID 6434737

Brn 1329940

Structural Information

Molecular Formula
C16H15NO7
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C16H15NO7/c1-21-13-8-10(9-14(22-2)16(13)23-3)12(18)6-4-11-5-7-15(24-11)17(19)20/h4-9H,1-3H3/b6-4-
InChIKey
AGTQJIQVSWUWEJ-XQRVVYSFSA-N
Compound name
(Z)-3-(5-nitrofuran-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.08484 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09212 174.9
[M+Na]+ 356.07406 182.0
[M-H]- 332.07756 183.0
[M+NH4]+ 351.11866 188.2
[M+K]+ 372.04800 177.3
[M+H-H2O]+ 316.08210 172.1
[M+HCOO]- 378.08304 199.6
[M+CH3COO]- 392.09869 202.9
[M+Na-2H]- 354.05951 178.5
[M]+ 333.08429 181.0
[M]- 333.08539 181.0
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.