CID 6446951

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

Structural Information

Molecular Formula
C18H15NO6
SMILES
CC(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C18H15NO6/c1-11(2)23-14-5-7-15-12(9-18(20)25-16(15)10-14)3-4-13-6-8-17(24-13)19(21)22/h3-11H,1-2H3/b4-3+
InChIKey
ZTFMLASTKAWRTF-ONEGZZNKSA-N
Compound name
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-7-propan-2-yloxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08994 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09722 174.5
[M+Na]+ 364.07916 189.7
[M+NH4]+ 359.12376 180.9
[M+K]+ 380.05310 188.3
[M-H]- 340.08266 181.4
[M+Na-2H]- 362.06461 179.9
[M]+ 341.08939 178.6
[M]- 341.09049 178.6
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.