CID 707839

2,3,4-trimethyl-9-phenyl-7h-furo[2,3-f]chromen-7-one

Structural Information

Molecular Formula
C20H16O3
SMILES
CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C4=C1C(=C(O4)C)C
InChI
InChI=1S/C20H16O3/c1-11-9-16-19(20-18(11)12(2)13(3)22-20)15(10-17(21)23-16)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKey
MBDBUSOFVNUVKA-UHFFFAOYSA-N
Compound name
2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.10995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11723 169.7
[M+Na]+ 327.09917 183.3
[M-H]- 303.10267 181.6
[M+NH4]+ 322.14377 186.9
[M+K]+ 343.07311 180.1
[M+H-H2O]+ 287.10721 162.9
[M+HCOO]- 349.10815 192.5
[M+CH3COO]- 363.12380 184.2
[M+Na-2H]- 325.08462 175.4
[M]+ 304.10940 177.7
[M]- 304.11050 177.7
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.