CID 2842756

137427-81-7

Structural Information

Molecular Formula
C21H21NO5
SMILES
CCOC(=O)C1C(CN(C1=O)C(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C21H21NO5/c1-3-27-21(25)18-17(14-7-5-4-6-8-14)13-22(20(18)24)19(23)15-9-11-16(26-2)12-10-15/h4-12,17-18H,3,13H2,1-2H3
InChIKey
VOXWPPFAFMCDST-UHFFFAOYSA-N
Compound name
ethyl 1-(4-methoxybenzoyl)-2-oxo-4-phenylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

367.14197 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.149246 185.7
[M+Na]+ 390.131188 191.7
[M-H]- 366.134694 194.2
[M+NH4]+ 385.175793 197.9
[M+K]+ 406.105128 188.6
[M+H-H2O]+ 350.139230 176.5
[M+HCOO]- 412.140171 205.2
[M+CH3COO]- 426.155821 215.2
[M+Na-2H]- 388.116636 183.0
[M]+ 367.14142142 188.2
[M]- 367.14251858 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe