CID 6446948

7-methoxy-4-(2-(5-nitro-2-furyl)vinyl)coumarin

Structural Information

Molecular Formula
C16H11NO6
SMILES
COC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C16H11NO6/c1-21-12-4-6-13-10(8-16(18)23-14(13)9-12)2-3-11-5-7-15(22-11)17(19)20/h2-9H,1H3/b3-2+
InChIKey
QRPSNVRKDQNZJZ-NSCUHMNNSA-N
Compound name
7-methoxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.05862 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06590 168.4
[M+Na]+ 336.04784 178.2
[M-H]- 312.05134 178.8
[M+NH4]+ 331.09244 182.4
[M+K]+ 352.02178 172.7
[M+H-H2O]+ 296.05588 165.7
[M+HCOO]- 358.05682 194.0
[M+CH3COO]- 372.07247 198.1
[M+Na-2H]- 334.03329 177.1
[M]+ 313.05807 174.7
[M]- 313.05917 174.7
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.