CID 3146032

138446-23-8

Structural Information

Molecular Formula
C24H28O4
SMILES
C1CCC2(CC1)C3CCCCC3(OC4=C2C=CC(=C4)O)C5=C(C=C(C=C5)O)O
InChI
InChI=1S/C24H28O4/c25-16-7-9-18(20(27)14-16)24-13-5-2-6-22(24)23(11-3-1-4-12-23)19-10-8-17(26)15-21(19)28-24/h7-10,14-15,22,25-27H,1-6,11-13H2
InChIKey
OHUKSGHHFLUFPB-UHFFFAOYSA-N
Compound name
4-(6-hydroxyspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,1'-cyclohexane]-4a-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

380.19876 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 193.7
[M+Na]+ 403.18798 206.4
[M+NH4]+ 398.23258 205.4
[M+K]+ 419.16192 194.7
[M-H]- 379.19148 200.7
[M+Na-2H]- 401.17343 200.3
[M]+ 380.19821 197.8
[M]- 380.19931 197.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe