CID 14720992

2-nonaprenyl-4-hydroxyphenol

Structural Information

Molecular Formula
C51H78O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C51H78O2/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,52-53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+
InChIKey
PZRKHNNLPWSLFO-XWEAJCOCSA-N
Compound name
2-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

722.60016 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.60744 281.0
[M+Na]+ 745.58938 284.0
[M+NH4]+ 740.63398 282.4
[M+K]+ 761.56332 284.0
[M-H]- 721.59288 273.9
[M+Na-2H]- 743.57483 280.4
[M]+ 722.59961 279.7
[M]- 722.60071 279.7
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

No patent data available for this compound.