CID 184311

Kazinol f

Structural Information

Molecular Formula
C25H32O4
SMILES
CC(=CCC1=C(C(=C(C=C1CCCC2=C(C=C(C=C2)O)O)O)O)CC=C(C)C)C
InChI
InChI=1S/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3
InChIKey
PNQQDEFGJPUAGZ-UHFFFAOYSA-N
Compound name
5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

64
Patents

396.23007 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.23735 200.0
[M+Na]+ 419.21929 205.2
[M-H]- 395.22279 201.2
[M+NH4]+ 414.26389 209.2
[M+K]+ 435.19323 198.4
[M+H-H2O]+ 379.22733 192.6
[M+HCOO]- 441.22827 213.6
[M+CH3COO]- 455.24392 220.0
[M+Na-2H]- 417.20474 193.8
[M]+ 396.22952 200.9
[M]- 396.23062 200.9
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