CID 854108

3-[(4-methoxybenzyl)oxy]-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C21H16O4
SMILES
COC1=CC=C(C=C1)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C21H16O4/c1-23-15-8-6-14(7-9-15)13-24-16-10-11-18-17-4-2-3-5-19(17)21(22)25-20(18)12-16/h2-12H,13H2,1H3
InChIKey
PEOPXQPKSGPAES-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.10486 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.112136 175.8
[M+Na]+ 355.094078 186.6
[M-H]- 331.097584 185.8
[M+NH4]+ 350.138683 190.2
[M+K]+ 371.068018 182.9
[M+H-H2O]+ 315.102120 166.2
[M+HCOO]- 377.103061 198.3
[M+CH3COO]- 391.118711 188.4
[M+Na-2H]- 353.079526 184.6
[M]+ 332.10431142 182.8
[M]- 332.10540858 182.8
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.