CID 201642

239 dl

Structural Information

Molecular Formula
C16H20N2O5
SMILES
C1COCCN1C(=O)C(CCC(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H20N2O5/c19-14(20)7-6-13(16(22)18-8-10-23-11-9-18)17-15(21)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,21)(H,19,20)
InChIKey
CZIUKWBNWPLOGO-UHFFFAOYSA-N
Compound name
4-benzamido-5-morpholin-4-yl-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 174.0
[M+Na]+ 343.12642 181.3
[M+NH4]+ 338.17102 178.0
[M+K]+ 359.10036 178.8
[M-H]- 319.12992 175.4
[M+Na-2H]- 341.11187 176.7
[M]+ 320.13665 174.8
[M]- 320.13775 174.8
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.