CID 854096

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

Structural Information

Molecular Formula
C22H18O4
SMILES
CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC4=CC=C(C=C4)OC
InChI
InChI=1S/C22H18O4/c1-14-20(25-13-15-7-9-16(24-2)10-8-15)12-11-18-17-5-3-4-6-19(17)22(23)26-21(14)18/h3-12H,13H2,1-2H3
InChIKey
IUDUEONZSHLLFM-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methoxy]-4-methylbenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1205 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.127776 181.0
[M+Na]+ 369.109718 192.2
[M-H]- 345.113224 191.2
[M+NH4]+ 364.154323 195.1
[M+K]+ 385.083658 188.4
[M+H-H2O]+ 329.117760 171.3
[M+HCOO]- 391.118701 203.1
[M+CH3COO]- 405.134351 193.4
[M+Na-2H]- 367.095166 188.5
[M]+ 346.11995142 188.7
[M]- 346.12104858 188.7
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.