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]+ 333.144476 176.3
[M+Na]+ 355.126418 180.3
[M-H]- 331.129924 183.1
[M+NH4]+ 350.171023 186.8
[M+K]+ 371.100358 179.2
[M+H-H2O]+ 315.134460 166.9
[M+HCOO]- 377.135401 190.5
[M+CH3COO]- 391.151051 206.3
[M+Na-2H]- 353.111866 174.0
[M]+ 332.13665142 173.9
[M]- 332.13774858 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.