CID 207648

Propionanilide, n-(1-phenethyl-3-pyrrolidinylmethyl)-, oxalate

Structural Information

Molecular Formula
C22H28N2O
SMILES
CCC(=O)N(CC1CCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O/c1-2-22(25)24(21-11-7-4-8-12-21)18-20-14-16-23(17-20)15-13-19-9-5-3-6-10-19/h3-12,20H,2,13-18H2,1H3
InChIKey
CAPQSVNUBVVVPM-UHFFFAOYSA-N
Compound name
N-phenyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.22015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 185.8
[M+Na]+ 359.20937 197.4
[M+NH4]+ 354.25397 193.8
[M+K]+ 375.18331 190.7
[M-H]- 335.21287 191.9
[M+Na-2H]- 357.19482 194.2
[M]+ 336.21960 189.1
[M]- 336.22070 189.1
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.