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 183.0
[M+Na]+ 355.19922 184.6
[M-H]- 331.20272 186.7
[M+NH4]+ 350.24382 196.1
[M+K]+ 371.17316 182.1
[M+H-H2O]+ 315.20726 174.4
[M+HCOO]- 377.20820 200.8
[M+CH3COO]- 391.22385 210.2
[M+Na-2H]- 353.18467 183.2
[M]+ 332.20945 182.5
[M]- 332.21055 182.5
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.