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 184.8
[M+Na]+ 359.20937 187.1
[M-H]- 335.21287 193.0
[M+NH4]+ 354.25397 198.1
[M+K]+ 375.18331 182.8
[M+H-H2O]+ 319.21741 174.3
[M+HCOO]- 381.21835 205.3
[M+CH3COO]- 395.23400 215.6
[M+Na-2H]- 357.19482 184.0
[M]+ 336.21960 183.3
[M]- 336.22070 183.3
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.