CID 209911

Sas 552

Structural Information

Molecular Formula
C26H28O2
SMILES
CCC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OC3=C(C=CC(=C3)C)C(C)C
InChI
InChI=1S/C26H28O2/c1-5-23(22-14-12-21(13-15-22)20-9-7-6-8-10-20)26(27)28-25-17-19(4)11-16-24(25)18(2)3/h6-18,23H,5H2,1-4H3
InChIKey
GNBAJEWDTRDVTA-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.20892 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21620 194.0
[M+Na]+ 395.19814 209.6
[M+NH4]+ 390.24274 202.1
[M+K]+ 411.17208 200.5
[M-H]- 371.20164 201.0
[M+Na-2H]- 393.18359 204.0
[M]+ 372.20837 198.5
[M]- 372.20947 198.5
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

No patent data available for this compound.