CID 44257133

Quercetol b

Structural Information

Molecular Formula
C23H28O4
SMILES
CC(=CCC1=C2C(=C(C=C1OC)OC)[C@@H](C[C@H](O2)C3=CC=CC=C3)OC)C
InChI
InChI=1S/C23H28O4/c1-15(2)11-12-17-19(24-3)14-21(26-5)22-20(25-4)13-18(27-23(17)22)16-9-7-6-8-10-16/h6-11,14,18,20H,12-13H2,1-5H3/t18-,20+/m0/s1
InChIKey
QYAYIWOQUZDATC-AZUAARDMSA-N
Compound name
(2S,4R)-4,5,7-trimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

368.19876 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20604 191.1
[M+Na]+ 391.18798 197.5
[M-H]- 367.19148 198.9
[M+NH4]+ 386.23258 203.5
[M+K]+ 407.16192 194.9
[M+H-H2O]+ 351.19602 182.2
[M+HCOO]- 413.19696 208.2
[M+CH3COO]- 427.21261 221.0
[M+Na-2H]- 389.17343 191.5
[M]+ 368.19821 195.9
[M]- 368.19931 195.9
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