CID 707728

2,3-dimethyl-5-phenylfuro[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C19H14O3
SMILES
CC1=C(OC2=CC3=C(C=C12)C(=CC(=O)O3)C4=CC=CC=C4)C
InChI
InChI=1S/C19H14O3/c1-11-12(2)21-17-10-18-16(8-14(11)17)15(9-19(20)22-18)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
BUSKGIPQNCLQDU-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-phenylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

290.0943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.101576 164.6
[M+Na]+ 313.083518 177.8
[M-H]- 289.087024 176.4
[M+NH4]+ 308.128123 182.1
[M+K]+ 329.057458 174.8
[M+H-H2O]+ 273.091560 157.8
[M+HCOO]- 335.092501 187.8
[M+CH3COO]- 349.108151 179.3
[M+Na-2H]- 311.068966 171.6
[M]+ 290.09375142 171.8
[M]- 290.09484858 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe