CID 211511

N-(1-allyl-3-pyrrolidinyl)propionanilide oxalate (1:1)

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCC(=O)N(C1CCN(C1)CC=C)C2=CC=CC=C2
InChI
InChI=1S/C16H22N2O/c1-3-11-17-12-10-15(13-17)18(16(19)4-2)14-8-6-5-7-9-14/h3,5-9,15H,1,4,10-13H2,2H3
InChIKey
USKFUSAONWCCPH-UHFFFAOYSA-N
Compound name
N-phenyl-N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

258.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.7
[M+Na]+ 281.16244 167.7
[M-H]- 257.16594 169.4
[M+NH4]+ 276.20704 180.8
[M+K]+ 297.13638 165.0
[M+H-H2O]+ 241.17048 155.1
[M+HCOO]- 303.17142 185.1
[M+CH3COO]- 317.18707 201.2
[M+Na-2H]- 279.14789 163.8
[M]+ 258.17267 162.1
[M]- 258.17377 162.1
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.