CID 480856

Glabridin dimethyl ether

Structural Information

Molecular Formula
C22H24O4
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)OC)OC)C
InChI
InChI=1S/C22H24O4/c1-22(2)10-9-18-19(26-22)8-5-14-11-15(13-25-21(14)18)17-7-6-16(23-3)12-20(17)24-4/h5-10,12,15H,11,13H2,1-4H3/t15-/m0/s1
InChIKey
MQSZHVFJSFLOMO-HNNXBMFYSA-N
Compound name
(3R)-3-(2,4-dimethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

352.16745 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17473 184.9
[M+Na]+ 375.15667 193.2
[M-H]- 351.16017 194.6
[M+NH4]+ 370.20127 199.4
[M+K]+ 391.13061 191.9
[M+H-H2O]+ 335.16471 175.4
[M+HCOO]- 397.16565 200.3
[M+CH3COO]- 411.18130 195.9
[M+Na-2H]- 373.14212 190.4
[M]+ 352.16690 188.8
[M]- 352.16800 188.8
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