CID 3071510

137460-58-3

Structural Information

Molecular Formula
C21H22O4
SMILES
CCCCCCOC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3
InChI
InChI=1S/C21H22O4/c1-2-3-4-8-13-23-17-11-12-18-19(14-17)24-15-20(21(18)22)25-16-9-6-5-7-10-16/h5-7,9-12,14-15H,2-4,8,13H2,1H3
InChIKey
VKVHGBWCULITLM-UHFFFAOYSA-N
Compound name
7-hexoxy-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1518 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.2
[M+Na]+ 361.14102 187.9
[M-H]- 337.14452 188.2
[M+NH4]+ 356.18562 193.4
[M+K]+ 377.11496 184.7
[M+H-H2O]+ 321.14906 170.9
[M+HCOO]- 383.15000 201.9
[M+CH3COO]- 397.16565 211.6
[M+Na-2H]- 359.12647 186.1
[M]+ 338.15125 187.0
[M]- 338.15235 187.0
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.