CID 56820

Br 79

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CCC(C1=CC=CC=C1)(C(=O)NCCN2CCCC2)C(=O)OCC
InChI
InChI=1S/C19H28N2O3/c1-3-19(18(23)24-4-2,16-10-6-5-7-11-16)17(22)20-12-15-21-13-8-9-14-21/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3,(H,20,22)
InChIKey
OYYQNJRWCXBOPX-UHFFFAOYSA-N
Compound name
ethyl 2-phenyl-2-(2-pyrrolidin-1-ylethylcarbamoyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 182.2
[M+Na]+ 355.19922 189.3
[M+NH4]+ 350.24382 187.5
[M+K]+ 371.17316 186.2
[M-H]- 331.20272 183.1
[M+Na-2H]- 353.18467 186.0
[M]+ 332.20945 183.0
[M]- 332.21055 183.0
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.