CID 6446950

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

Structural Information

Molecular Formula
C18H15NO6
SMILES
CCCOC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C18H15NO6/c1-2-9-23-14-5-7-15-12(10-18(20)25-16(15)11-14)3-4-13-6-8-17(24-13)19(21)22/h3-8,10-11H,2,9H2,1H3/b4-3+
InChIKey
AXNKSPMNPBLEQU-ONEGZZNKSA-N
Compound name
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-propoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08994 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09722 178.5
[M+Na]+ 364.07916 187.4
[M-H]- 340.08266 188.4
[M+NH4]+ 359.12376 191.2
[M+K]+ 380.05310 181.4
[M+H-H2O]+ 324.08720 175.3
[M+HCOO]- 386.08814 203.3
[M+CH3COO]- 400.10379 204.1
[M+Na-2H]- 362.06461 186.0
[M]+ 341.08939 185.3
[M]- 341.09049 185.3
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.