CID 38305

39630-20-1

Structural Information

Molecular Formula
C17H20N2O5
SMILES
COC(=O)C1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCOCC3
InChI
InChI=1S/C17H20N2O5/c1-23-17(22)13-4-2-3-5-14(13)19-11-12(10-15(19)20)16(21)18-6-8-24-9-7-18/h2-5,12H,6-11H2,1H3
InChIKey
IUXOHNXARPHURE-UHFFFAOYSA-N
Compound name
methyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1372 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 176.6
[M+Na]+ 355.12642 186.3
[M+NH4]+ 350.17102 181.6
[M+K]+ 371.10036 184.4
[M-H]- 331.12992 179.7
[M+Na-2H]- 353.11187 180.1
[M]+ 332.13665 178.4
[M]- 332.13775 178.4
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.