CID 3070732

86819-31-0

Structural Information

Molecular Formula
C25H35NO4
SMILES
CCN(CC)CC(COC1=CC=CC=C1CCC2=CC=CC=C2C)OCCC(=O)O
InChI
InChI=1S/C25H35NO4/c1-4-26(5-2)18-23(29-17-16-25(27)28)19-30-24-13-9-8-12-22(24)15-14-21-11-7-6-10-20(21)3/h6-13,23H,4-5,14-19H2,1-3H3,(H,27,28)
InChIKey
QYXDOXCJJLIDCT-UHFFFAOYSA-N
Compound name
3-[1-(diethylamino)-3-[2-[2-(2-methylphenyl)ethyl]phenoxy]propan-2-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.25662 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.26390 205.2
[M+Na]+ 436.24584 215.3
[M+NH4]+ 431.29044 210.4
[M+K]+ 452.21978 208.3
[M-H]- 412.24934 208.3
[M+Na-2H]- 434.23129 210.2
[M]+ 413.25607 207.3
[M]- 413.25717 207.3
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

No patent data available for this compound.