CID 3070710

86819-19-4

Structural Information

Molecular Formula
C25H34N2O5
SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC=C(C=C2)N(C)C)OC(=O)CCC(=O)O
InChI
InChI=1S/C25H34N2O5/c1-26(2)17-22(32-25(30)16-15-24(28)29)18-31-23-8-6-5-7-20(23)12-9-19-10-13-21(14-11-19)27(3)4/h5-8,10-11,13-14,22H,9,12,15-18H2,1-4H3,(H,28,29)
InChIKey
KSBUKVZRISOHSU-UHFFFAOYSA-N
Compound name
4-[1-(dimethylamino)-3-[2-[2-[4-(dimethylamino)phenyl]ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.24677 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.25405 209.0
[M+Na]+ 465.23599 217.1
[M+NH4]+ 460.28059 212.9
[M+K]+ 481.20993 212.5
[M-H]- 441.23949 211.6
[M+Na-2H]- 463.22144 213.2
[M]+ 442.24622 210.5
[M]- 442.24732 210.5
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.