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 193.9
[M+Na]+ 395.19814 198.4
[M-H]- 371.20164 202.9
[M+NH4]+ 390.24274 205.3
[M+K]+ 411.17208 193.6
[M+H-H2O]+ 355.20618 184.0
[M+HCOO]- 417.20712 212.9
[M+CH3COO]- 431.22277 222.3
[M+Na-2H]- 393.18359 192.1
[M]+ 372.20837 195.6
[M]- 372.20947 195.6
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.