CID 21388764

93803-62-4

Structural Information

Molecular Formula
C33H44O2
SMILES
C1CCC(C1)C2=CC(=C(C(=C2)C3CCCC3)O)CC4=C(C(=CC(=C4)C5CCCC5)C6CCCC6)O
InChI
InChI=1S/C33H44O2/c34-32-28(17-26(22-9-1-2-10-22)20-30(32)24-13-5-6-14-24)19-29-18-27(23-11-3-4-12-23)21-31(33(29)35)25-15-7-8-16-25/h17-18,20-25,34-35H,1-16,19H2
InChIKey
NINOVOIDPXKQRK-UHFFFAOYSA-N
Compound name
2,4-dicyclopentyl-6-[(3,5-dicyclopentyl-2-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

472.33414 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.341416 217.5
[M+Na]+ 495.323358 216.4
[M-H]- 471.326864 232.6
[M+NH4]+ 490.367963 229.9
[M+K]+ 511.297298 209.4
[M+H-H2O]+ 455.331400 210.7
[M+HCOO]- 517.332341 229.9
[M+CH3COO]- 531.347991 223.4
[M+Na-2H]- 493.308806 201.1
[M]+ 472.33359142 207.1
[M]- 472.33468858 207.1
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