CID 210863

Propionanilide, n-(1-benzyl-3-pyrrolidinyl)-

Structural Information

Molecular Formula
C20H24N2O
SMILES
CCC(=O)N(C1CCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2O/c1-2-20(23)22(18-11-7-4-8-12-18)19-13-14-21(16-19)15-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3
InChIKey
MOQYAXZTIUPVLH-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrrolidin-3-yl)-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

308.18887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 175.7
[M+Na]+ 331.17809 178.9
[M-H]- 307.18159 184.3
[M+NH4]+ 326.22269 190.3
[M+K]+ 347.15203 175.2
[M+H-H2O]+ 291.18613 165.6
[M+HCOO]- 353.18707 196.9
[M+CH3COO]- 367.20272 209.7
[M+Na-2H]- 329.16354 176.1
[M]+ 308.18832 173.6
[M]- 308.18942 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe