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 174.3
[M+Na]+ 343.12642 175.1
[M-H]- 319.12992 177.2
[M+NH4]+ 338.17102 183.3
[M+K]+ 359.10036 174.6
[M+H-H2O]+ 303.13446 165.2
[M+HCOO]- 365.13540 188.6
[M+CH3COO]- 379.15105 204.9
[M+Na-2H]- 341.11187 174.7
[M]+ 320.13665 170.8
[M]- 320.13775 170.8
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.