CID 3070730

86819-30-9

Structural Information

Molecular Formula
C27H34N2O6
SMILES
C1CN(CCC1C(=O)N)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)CCC(=O)O
InChI
InChI=1S/C27H34N2O6/c28-27(33)22-14-16-29(17-15-22)18-23(35-26(32)13-12-25(30)31)19-34-24-9-5-4-8-21(24)11-10-20-6-2-1-3-7-20/h1-9,22-23H,10-19H2,(H2,28,33)(H,30,31)
InChIKey
UHAMZAWRNXQEKY-UHFFFAOYSA-N
Compound name
4-[1-(4-carbamoylpiperidin-1-yl)-3-[2-(2-phenylethyl)phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

482.2417 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.24898 216.7
[M+Na]+ 505.23092 224.1
[M+NH4]+ 500.27552 219.4
[M+K]+ 521.20486 219.7
[M-H]- 481.23442 218.8
[M+Na-2H]- 503.21637 220.1
[M]+ 482.24115 217.7
[M]- 482.24225 217.7
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

patents stripe