CID 56802

Br 89

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCC(C1=CC=CC=C1)(C(=O)NCCCN2CCCC2)C(=O)OCC
InChI
InChI=1S/C20H30N2O3/c1-3-20(19(24)25-4-2,17-11-6-5-7-12-17)18(23)21-13-10-16-22-14-8-9-15-22/h5-7,11-12H,3-4,8-10,13-16H2,1-2H3,(H,21,23)
InChIKey
BUHJJXPGTOKBQA-UHFFFAOYSA-N
Compound name
ethyl 2-phenyl-2-(3-pyrrolidin-1-ylpropylcarbamoyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.23293 187.5
[M+Na]+ 369.21487 188.6
[M-H]- 345.21837 191.0
[M+NH4]+ 364.25947 200.0
[M+K]+ 385.18881 185.9
[M+H-H2O]+ 329.22291 178.7
[M+HCOO]- 391.22385 204.9
[M+CH3COO]- 405.23950 213.2
[M+Na-2H]- 367.20032 187.1
[M]+ 346.22510 187.3
[M]- 346.22620 187.3
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.