CID 23251192

4-o-methylxanthohumol

Structural Information

Molecular Formula
C22H24O5
SMILES
CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)OC)O)C
InChI
InChI=1S/C22H24O5/c1-14(2)5-11-17-19(24)13-20(27-4)21(22(17)25)18(23)12-8-15-6-9-16(26-3)10-7-15/h5-10,12-13,24-25H,11H2,1-4H3/b12-8+
InChIKey
HOOCUUOYPZNVKX-XYOKQWHBSA-N
Compound name
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

368.16238 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16966 187.6
[M+Na]+ 391.15160 194.3
[M-H]- 367.15510 191.8
[M+NH4]+ 386.19620 198.9
[M+K]+ 407.12554 189.7
[M+H-H2O]+ 351.15964 179.8
[M+HCOO]- 413.16058 205.8
[M+CH3COO]- 427.17623 215.7
[M+Na-2H]- 389.13705 184.8
[M]+ 368.16183 191.5
[M]- 368.16293 191.5
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