CID 107105

2-hydroxy-4-(2-hydroxy-3-decyloxypropoxy)benzophenone

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
2
Annotation Hits

0
References

72
Patents

428.2563 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.263576 209.4
[M+Na]+ 451.245518 210.6
[M-H]- 427.249024 211.3
[M+NH4]+ 446.290123 217.1
[M+K]+ 467.219458 206.0
[M+H-H2O]+ 411.253560 199.6
[M+HCOO]- 473.254501 225.6
[M+CH3COO]- 487.270151 226.0
[M+Na-2H]- 449.230966 206.3
[M]+ 428.25575142 214.7
[M]- 428.25684858 214.7
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

patents stripe