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

1
Patents

472.33414 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.34142 217.5
[M+Na]+ 495.32336 216.4
[M-H]- 471.32686 232.6
[M+NH4]+ 490.36796 229.9
[M+K]+ 511.29730 209.4
[M+H-H2O]+ 455.33140 210.7
[M+HCOO]- 517.33234 229.9
[M+CH3COO]- 531.34799 223.4
[M+Na-2H]- 493.30881 201.1
[M]+ 472.33359 207.1
[M]- 472.33469 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