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]+ 297.11214 166.0
[M+Na]+ 319.09408 176.0
[M-H]- 295.09758 175.1
[M+NH4]+ 314.13868 181.3
[M+K]+ 335.06802 173.6
[M+H-H2O]+ 279.10212 157.6
[M+HCOO]- 341.10306 188.8
[M+CH3COO]- 355.11871 204.0
[M+Na-2H]- 317.07953 172.9
[M]+ 296.10431 172.3
[M]- 296.10541 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.