CID 804039

7-(4-methoxy-benzyloxy)-4-methyl-chromen-2-one

Structural Information

Molecular Formula
C18H16O4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)OC
InChI
InChI=1S/C18H16O4/c1-12-9-18(19)22-17-10-15(7-8-16(12)17)21-11-13-3-5-14(20-2)6-4-13/h3-10H,11H2,1-2H3
InChIKey
BPZDSNUGLUDKNR-UHFFFAOYSA-N
Compound name
7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

296.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.112136 166.0
[M+Na]+ 319.094078 176.0
[M-H]- 295.097584 175.1
[M+NH4]+ 314.138683 181.3
[M+K]+ 335.068018 173.6
[M+H-H2O]+ 279.102120 157.6
[M+HCOO]- 341.103061 188.8
[M+CH3COO]- 355.118711 204.0
[M+Na-2H]- 317.079526 172.9
[M]+ 296.10431142 172.3
[M]- 296.10540858 172.3
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