CID 183479

M-phenoxybenzyl 3-methyl-2-p-tolylbutyrate

Structural Information

Molecular Formula
C25H26O3
SMILES
CC1=CC=C(C=C1)C(C(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H26O3/c1-18(2)24(21-14-12-19(3)13-15-21)25(26)27-17-20-8-7-11-23(16-20)28-22-9-5-4-6-10-22/h4-16,18,24H,17H2,1-3H3
InChIKey
OGZRPUCCXQXGLD-UHFFFAOYSA-N
Compound name
(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1882 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19548 192.7
[M+Na]+ 397.17742 207.7
[M+NH4]+ 392.22202 200.4
[M+K]+ 413.15136 199.2
[M-H]- 373.18092 199.2
[M+Na-2H]- 395.16287 202.8
[M]+ 374.18765 196.9
[M]- 374.18875 196.9
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.