CID 221370

5461-99-4

Structural Information

Molecular Formula
C17H16O3
SMILES
CC1=CC2=C(C(=C1)OC)OC(CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H16O3/c1-11-8-13-14(18)10-15(12-6-4-3-5-7-12)20-17(13)16(9-11)19-2/h3-9,15H,10H2,1-2H3
InChIKey
DVKYEWQUGKCKRF-UHFFFAOYSA-N
Compound name
8-methoxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

268.10995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11723 159.6
[M+Na]+ 291.09917 168.2
[M-H]- 267.10267 168.1
[M+NH4]+ 286.14377 176.0
[M+K]+ 307.07311 165.7
[M+H-H2O]+ 251.10721 151.8
[M+HCOO]- 313.10815 179.7
[M+CH3COO]- 327.12380 199.5
[M+Na-2H]- 289.08462 165.1
[M]+ 268.10940 161.3
[M]- 268.11050 161.3
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

No patent data available for this compound.