CID 210867

N-(1-phenethyl-3-pyrrolidinyl)propionanilide fumarate (1:1)

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCC(=O)N(C1CCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-14-16-22(17-20)15-13-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3
InChIKey
HTOGMSKHUWQFKF-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

322.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 180.3
[M+Na]+ 345.19372 183.0
[M-H]- 321.19722 188.7
[M+NH4]+ 340.23832 194.2
[M+K]+ 361.16766 179.0
[M+H-H2O]+ 305.20176 170.0
[M+HCOO]- 367.20270 201.1
[M+CH3COO]- 381.21835 212.7
[M+Na-2H]- 343.17917 180.1
[M]+ 322.20395 178.4
[M]- 322.20505 178.4
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