CID 183479

(3-phenoxyphenyl)methyl 3-methyl-2-(4-methylphenyl)butanoate

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]+ 375.195476 193.4
[M+Na]+ 397.177418 197.3
[M-H]- 373.180924 202.2
[M+NH4]+ 392.222023 204.4
[M+K]+ 413.151358 193.3
[M+H-H2O]+ 357.185460 183.2
[M+HCOO]- 419.186401 212.9
[M+CH3COO]- 433.202051 220.1
[M+Na-2H]- 395.162866 192.8
[M]+ 374.18765142 195.7
[M]- 374.18874858 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.