CID 218357

40513-10-8

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CCOC(=O)CN1CCN(CC1)C(CC(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H24N2O5/c1-2-25-17(22)13-19-8-10-20(11-9-19)15(18(23)24)12-16(21)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,23,24)
InChIKey
BRQWIAOCVUYJKZ-UHFFFAOYSA-N
Compound name
2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]-4-oxo-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.16852 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 181.5
[M+Na]+ 371.15774 183.0
[M-H]- 347.16124 182.3
[M+NH4]+ 366.20234 189.8
[M+K]+ 387.13168 181.0
[M+H-H2O]+ 331.16578 171.9
[M+HCOO]- 393.16672 193.6
[M+CH3COO]- 407.18237 209.9
[M+Na-2H]- 369.14319 179.2
[M]+ 348.16797 179.8
[M]- 348.16907 179.8
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.