CID 978393

3-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-methyl-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C23H18O5
SMILES
CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H18O5/c1-14-21(27-13-20(24)15-7-9-16(26-2)10-8-15)12-11-18-17-5-3-4-6-19(17)23(25)28-22(14)18/h3-12H,13H2,1-2H3
InChIKey
QFEPDTAJHPMJKS-UHFFFAOYSA-N
Compound name
3-[2-(4-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.11542 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12270 187.4
[M+Na]+ 397.10464 197.8
[M-H]- 373.10814 197.5
[M+NH4]+ 392.14924 200.0
[M+K]+ 413.07858 194.6
[M+H-H2O]+ 357.11268 177.4
[M+HCOO]- 419.11362 208.4
[M+CH3COO]- 433.12927 199.2
[M+Na-2H]- 395.09009 193.4
[M]+ 374.11487 195.6
[M]- 374.11597 195.6
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.