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 176.3
[M+Na]+ 355.12642 180.3
[M-H]- 331.12992 183.1
[M+NH4]+ 350.17102 186.8
[M+K]+ 371.10036 179.2
[M+H-H2O]+ 315.13446 166.9
[M+HCOO]- 377.13540 190.5
[M+CH3COO]- 391.15105 206.3
[M+Na-2H]- 353.11187 174.0
[M]+ 332.13665 173.9
[M]- 332.13775 173.9
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.