CID 183480

Dtxsid80920772

Structural Information

Molecular Formula
C25H26O4
SMILES
CC(C)C(C1=CC=C(C=C1)OC)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H26O4/c1-18(2)24(20-12-14-21(27-3)15-13-20)25(26)28-17-19-8-7-11-23(16-19)29-22-9-5-4-6-10-22/h4-16,18,24H,17H2,1-3H3
InChIKey
GSHYEWYUVCOGFD-UHFFFAOYSA-N
Compound name
(3-phenoxyphenyl)methyl 2-(4-methoxyphenyl)-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

390.1831 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.190376 196.6
[M+Na]+ 413.172318 200.3
[M-H]- 389.175824 205.4
[M+NH4]+ 408.216923 206.8
[M+K]+ 429.146258 197.1
[M+H-H2O]+ 373.180360 186.1
[M+HCOO]- 435.181301 216.3
[M+CH3COO]- 449.196951 222.2
[M+Na-2H]- 411.157766 196.1
[M]+ 390.18255142 200.3
[M]- 390.18364858 200.3
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

patents stripe