CID 3071507

137427-85-1

Structural Information

Molecular Formula
C21H29NO4
SMILES
CCCC(CCC)C(=O)N1CC(C(C1=O)C(=O)OCC)C2=CC=CC=C2
InChI
InChI=1S/C21H29NO4/c1-4-10-16(11-5-2)19(23)22-14-17(15-12-8-7-9-13-15)18(20(22)24)21(25)26-6-3/h7-9,12-13,16-18H,4-6,10-11,14H2,1-3H3
InChIKey
GYIYRIOXIRNPRT-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-4-phenyl-1-(2-propylpentanoyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

359.20966 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21694 189.1
[M+Na]+ 382.19888 193.0
[M-H]- 358.20238 193.5
[M+NH4]+ 377.24348 202.1
[M+K]+ 398.17282 190.1
[M+H-H2O]+ 342.20692 180.9
[M+HCOO]- 404.20786 206.1
[M+CH3COO]- 418.22351 216.6
[M+Na-2H]- 380.18433 183.7
[M]+ 359.20911 191.9
[M]- 359.21021 191.9
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

patents stripe