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]+ 259.180496 163.7
[M+Na]+ 281.162438 167.7
[M-H]- 257.165944 169.4
[M+NH4]+ 276.207043 180.8
[M+K]+ 297.136378 165.0
[M+H-H2O]+ 241.170480 155.1
[M+HCOO]- 303.171421 185.1
[M+CH3COO]- 317.187071 201.2
[M+Na-2H]- 279.147886 163.8
[M]+ 258.17267142 162.1
[M]- 258.17376858 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

literature stripe

Patent stripe

patents stripe