CID 107105

68092-49-9

Structural Information

Molecular Formula
C26H36O5
SMILES
CCCCCCCCCCOCC(COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O)O
InChI
InChI=1S/C26H36O5/c1-2-3-4-5-6-7-8-12-17-30-19-22(27)20-31-23-15-16-24(25(28)18-23)26(29)21-13-10-9-11-14-21/h9-11,13-16,18,22,27-28H,2-8,12,17,19-20H2,1H3
InChIKey
XYUSZWLCQQSJCS-UHFFFAOYSA-N
Compound name
[4-(3-decoxy-2-hydroxypropoxy)-2-hydroxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

428.2563 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.26358 209.7
[M+Na]+ 451.24552 219.6
[M+NH4]+ 446.29012 214.1
[M+K]+ 467.21946 212.3
[M-H]- 427.24902 211.2
[M+Na-2H]- 449.23097 213.4
[M]+ 428.25575 211.3
[M]- 428.25685 211.3
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