CID 3063023

Mg 6861

Structural Information

Molecular Formula
C24H30O6
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(C)(C)C(=O)OCC
InChI
InChI=1S/C24H30O6/c1-7-27-21(25)23(3,4)29-19-13-9-17(10-14-19)18-11-15-20(16-12-18)30-24(5,6)22(26)28-8-2/h9-16H,7-8H2,1-6H3
InChIKey
ATCKCQQANSHFIY-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.20422 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21150 199.7
[M+Na]+ 437.19344 204.0
[M-H]- 413.19694 205.8
[M+NH4]+ 432.23804 209.8
[M+K]+ 453.16738 203.0
[M+H-H2O]+ 397.20148 191.3
[M+HCOO]- 459.20242 217.1
[M+CH3COO]- 473.21807 226.0
[M+Na-2H]- 435.17889 201.4
[M]+ 414.20367 207.9
[M]- 414.20477 207.9
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.