CID 42607876

Quercetol c

Structural Information

Molecular Formula
C22H24O5
SMILES
CC(C)(/C=C/C1=C2C(=C(C=C1OC)OC)C(=O)CC(O2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H24O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-11,13,17,24H,12H2,1-4H3/b11-10+
InChIKey
DKYFESWWIPJYTA-ZHACJKMWSA-N
Compound name
8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.16238 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16966 188.1
[M+Na]+ 391.15160 195.2
[M-H]- 367.15510 194.9
[M+NH4]+ 386.19620 199.7
[M+K]+ 407.12554 192.3
[M+H-H2O]+ 351.15964 180.0
[M+HCOO]- 413.16058 203.8
[M+CH3COO]- 427.17623 216.9
[M+Na-2H]- 389.13705 191.1
[M]+ 368.16183 191.8
[M]- 368.16293 191.8
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.