CID 10384155

Alpinumisoflavone dimethyl ether

Structural Information

Molecular Formula
C22H20O5
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C(=CO3)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C22H20O5/c1-22(2)10-9-15-17(27-22)11-18-19(21(15)25-4)20(23)16(12-26-18)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3
InChIKey
WRINUBCCCQLTPU-UHFFFAOYSA-N
Compound name
5-methoxy-7-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

364.13107 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13835 185.7
[M+Na]+ 387.12029 197.0
[M-H]- 363.12379 196.7
[M+NH4]+ 382.16489 200.0
[M+K]+ 403.09423 195.8
[M+H-H2O]+ 347.12833 176.2
[M+HCOO]- 409.12927 204.2
[M+CH3COO]- 423.14492 198.0
[M+Na-2H]- 385.10574 192.6
[M]+ 364.13052 193.7
[M]- 364.13162 193.7
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

patents stripe