CID 107094

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

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 200.5
[M+Na]+ 423.21420 202.7
[M-H]- 399.21770 202.8
[M+NH4]+ 418.25880 209.4
[M+K]+ 439.18814 198.5
[M+H-H2O]+ 383.22224 191.2
[M+HCOO]- 445.22318 217.5
[M+CH3COO]- 459.23883 220.2
[M+Na-2H]- 421.19965 198.5
[M]+ 400.22443 205.2
[M]- 400.22553 205.2
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