CID 107094

68083-40-9

Structural Information

Molecular Formula
C24H32O5
SMILES
CCCCCCCCOCC(COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O)O
InChI
InChI=1S/C24H32O5/c1-2-3-4-5-6-10-15-28-17-20(25)18-29-21-13-14-22(23(26)16-21)24(27)19-11-8-7-9-12-19/h7-9,11-14,16,20,25-26H,2-6,10,15,17-18H2,1H3
InChIKey
RDQYDSWLGCAASI-UHFFFAOYSA-N
Compound name
[2-hydroxy-4-(2-hydroxy-3-octoxypropoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

400.22498 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.23226 200.8
[M+Na]+ 423.21420 211.2
[M+NH4]+ 418.25880 205.6
[M+K]+ 439.18814 204.3
[M-H]- 399.21770 202.4
[M+Na-2H]- 421.19965 205.1
[M]+ 400.22443 202.5
[M]- 400.22553 202.5
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