CID 375846

Nsc656099

Structural Information

Molecular Formula
C30H32O5
SMILES
CC(C(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)OCC4CCCCC4
InChI
InChI=1S/C30H32O5/c1-22(35-28-18-16-27(17-19-28)33-20-23-8-4-2-5-9-23)30(32)34-21-29(31)26-14-12-25(13-15-26)24-10-6-3-7-11-24/h3,6-7,10-19,22-23H,2,4-5,8-9,20-21H2,1H3
InChIKey
NPPFEMJOUNELEJ-UHFFFAOYSA-N
Compound name
[2-oxo-2-(4-phenylphenyl)ethyl] 2-[4-(cyclohexylmethoxy)phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.22498 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.23226 216.9
[M+Na]+ 495.21420 216.3
[M-H]- 471.21770 226.7
[M+NH4]+ 490.25880 222.3
[M+K]+ 511.18814 212.5
[M+H-H2O]+ 455.22224 204.4
[M+HCOO]- 517.22318 231.8
[M+CH3COO]- 531.23883 235.3
[M+Na-2H]- 493.19965 213.4
[M]+ 472.22443 215.6
[M]- 472.22553 215.6
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.