CID 513105

84289-40-7

Structural Information

Molecular Formula
C17H16O3
SMILES
COC1=CC=C(C=C1)CC2COC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H16O3/c1-19-14-8-6-12(7-9-14)10-13-11-20-16-5-3-2-4-15(16)17(13)18/h2-9,13H,10-11H2,1H3
InChIKey
CIJJDELIMLQYNR-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

268.10995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11723 159.6
[M+Na]+ 291.09917 167.3
[M-H]- 267.10267 167.8
[M+NH4]+ 286.14377 175.7
[M+K]+ 307.07311 164.7
[M+H-H2O]+ 251.10721 151.6
[M+HCOO]- 313.10815 179.8
[M+CH3COO]- 327.12380 198.3
[M+Na-2H]- 289.08462 165.9
[M]+ 268.10940 160.9
[M]- 268.11050 160.9
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.