CID 4063835

Abyssinone iv

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2CC(=O)C3=C(O2)C=C(C=C3)O)C
InChI
InChI=1S/C25H28O4/c1-15(2)5-7-17-11-19(12-18(25(17)28)8-6-16(3)4)23-14-22(27)21-10-9-20(26)13-24(21)29-23/h5-6,9-13,23,26,28H,7-8,14H2,1-4H3
InChIKey
JBQLRZGPTDOWQA-UHFFFAOYSA-N
Compound name
7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

392.19876 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 197.7
[M+Na]+ 415.18798 203.5
[M-H]- 391.19148 202.8
[M+NH4]+ 410.23258 207.7
[M+K]+ 431.16192 198.4
[M+H-H2O]+ 375.19602 189.6
[M+HCOO]- 437.19696 210.4
[M+CH3COO]- 451.21261 222.7
[M+Na-2H]- 413.17343 194.5
[M]+ 392.19821 198.0
[M]- 392.19931 198.0
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