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 193.4
[M+Na]+ 397.17742 197.3
[M-H]- 373.18092 202.2
[M+NH4]+ 392.22202 204.4
[M+K]+ 413.15136 193.3
[M+H-H2O]+ 357.18546 183.2
[M+HCOO]- 419.18640 212.9
[M+CH3COO]- 433.20205 220.1
[M+Na-2H]- 395.16287 192.8
[M]+ 374.18765 195.7
[M]- 374.18875 195.7
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.