CID 480869

Kazinol b

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=C(C=C2C=CC(OC2=C1O)(C)C)[C@@H]3CCC4=C(O3)C=C(C=C4)O)C
InChI
InChI=1S/C25H28O4/c1-15(2)5-9-19-20(13-17-11-12-25(3,4)29-24(17)23(19)27)21-10-7-16-6-8-18(26)14-22(16)28-21/h5-6,8,11-14,21,26-27H,7,9-10H2,1-4H3/t21-/m0/s1
InChIKey
QSCBHDIGHKHWKC-NRFANRHFSA-N
Compound name
6-[(2S)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

24
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 198.4
[M+Na]+ 415.18798 205.4
[M-H]- 391.19148 205.2
[M+NH4]+ 410.23258 210.0
[M+K]+ 431.16192 202.0
[M+H-H2O]+ 375.19602 189.7
[M+HCOO]- 437.19696 208.8
[M+CH3COO]- 451.21261 207.0
[M+Na-2H]- 413.17343 199.8
[M]+ 392.19821 199.0
[M]- 392.19931 199.0
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