CID 5316802

Kanzonol c

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C(=C(C=C2)O)CC=C(C)C)O)O)C
InChI
InChI=1S/C25H28O4/c1-16(2)5-9-19-15-18(7-12-22(19)26)8-13-23(27)21-11-14-24(28)20(25(21)29)10-6-17(3)4/h5-8,11-15,26,28-29H,9-10H2,1-4H3/b13-8+
InChIKey
CBGDCCSHOGQUSW-MDWZMJQESA-N
Compound name
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

33
Patents

392.19876 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 196.8
[M+Na]+ 415.18798 202.0
[M-H]- 391.19148 199.2
[M+NH4]+ 410.23258 206.5
[M+K]+ 431.16192 195.3
[M+H-H2O]+ 375.19602 189.3
[M+HCOO]- 437.19696 211.5
[M+CH3COO]- 451.21261 219.7
[M+Na-2H]- 413.17343 190.8
[M]+ 392.19821 197.1
[M]- 392.19931 197.1
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