CID 480815

Gancaonin r

Structural Information

Molecular Formula
C24H30O4
SMILES
CC(=CCC1=C(C(=C(C=C1O)O)CC=C(C)C)CCC2=CC(=C(C=C2)O)O)C
InChI
InChI=1S/C24H30O4/c1-15(2)5-9-19-18(11-7-17-8-12-21(25)24(28)13-17)20(10-6-16(3)4)23(27)14-22(19)26/h5-6,8,12-14,25-28H,7,9-11H2,1-4H3
InChIKey
QFAPONVNJTUMHF-UHFFFAOYSA-N
Compound name
5-[2-(3,4-dihydroxyphenyl)ethyl]-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

382.21442 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22170 195.5
[M+Na]+ 405.20364 201.2
[M-H]- 381.20714 197.0
[M+NH4]+ 400.24824 205.3
[M+K]+ 421.17758 194.6
[M+H-H2O]+ 365.21168 188.3
[M+HCOO]- 427.21262 209.5
[M+CH3COO]- 441.22827 217.1
[M+Na-2H]- 403.18909 189.9
[M]+ 382.21387 196.1
[M]- 382.21497 196.1
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