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]+ 347.12778 181.0
[M+Na]+ 369.10972 192.2
[M-H]- 345.11322 191.2
[M+NH4]+ 364.15432 195.1
[M+K]+ 385.08366 188.4
[M+H-H2O]+ 329.11776 171.3
[M+HCOO]- 391.11870 203.1
[M+CH3COO]- 405.13435 193.4
[M+Na-2H]- 367.09517 188.5
[M]+ 346.11995 188.7
[M]- 346.12105 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.