CID 854727

7,9,10-trimethyl-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C18H14O3
SMILES
CC1=C(OC2=C(C3=C(C=C12)C4=CC=CC=C4C(=O)O3)C)C
InChI
InChI=1S/C18H14O3/c1-9-11(3)20-16-10(2)17-15(8-14(9)16)12-6-4-5-7-13(12)18(19)21-17/h4-8H,1-3H3
InChIKey
BSLUPSSLVHTBRC-UHFFFAOYSA-N
Compound name
7,9,10-trimethyl-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 160.5
[M+Na]+ 301.08352 176.0
[M-H]- 277.08702 170.8
[M+NH4]+ 296.12812 180.3
[M+K]+ 317.05746 173.0
[M+H-H2O]+ 261.09156 154.7
[M+HCOO]- 323.09250 183.7
[M+CH3COO]- 337.10815 176.1
[M+Na-2H]- 299.06897 168.9
[M]+ 278.09375 170.6
[M]- 278.09485 170.6
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.