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

12
Patents

332.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 183.0
[M+Na]+ 355.199218 184.6
[M-H]- 331.202724 186.7
[M+NH4]+ 350.243823 196.1
[M+K]+ 371.173158 182.1
[M+H-H2O]+ 315.207260 174.4
[M+HCOO]- 377.208201 200.8
[M+CH3COO]- 391.223851 210.2
[M+Na-2H]- 353.184666 183.2
[M]+ 332.20945142 182.5
[M]- 332.21054858 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

patents stripe