CID 68026984

Me-344

Structural Information

Molecular Formula
C22H20O4
SMILES
CC1=C(C=CC2=C1OC[C@H]([C@H]2C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1
InChIKey
QVCAATSEPLQVBX-FPOVZHCZSA-N
Compound name
(3R,4S)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

41
Patents

348.13617 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14345 183.6
[M+Na]+ 371.12539 200.1
[M+NH4]+ 366.16999 191.8
[M+K]+ 387.09933 192.2
[M-H]- 347.12889 191.4
[M+Na-2H]- 369.11084 191.4
[M]+ 348.13562 188.4
[M]- 348.13672 188.4
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