CID 354365

Nsc605903

Structural Information

Molecular Formula
C22H20O5
SMILES
CC(C)(C#C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H20O5/c1-6-22(2,3)27-15-8-9-16-19(12-15)26-13-17(21(16)23)14-7-10-18(24-4)20(11-14)25-5/h1,7-13H,2-5H3
InChIKey
OKCVPZBKTYCRJU-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-7-(2-methylbut-3-yn-2-yloxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.13107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13835 189.5
[M+Na]+ 387.12029 201.6
[M-H]- 363.12379 195.5
[M+NH4]+ 382.16489 200.3
[M+K]+ 403.09423 196.2
[M+H-H2O]+ 347.12833 175.2
[M+HCOO]- 409.12927 203.7
[M+CH3COO]- 423.14492 222.4
[M+Na-2H]- 385.10574 192.7
[M]+ 364.13052 191.1
[M]- 364.13162 191.1
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.