CID 3024724

Fc 194

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CCC(=O)N(C1=CC=CC=C1)C(C)C(=O)N2CCCC2
InChI
InChI=1S/C16H22N2O2/c1-3-15(19)18(14-9-5-4-6-10-14)13(2)16(20)17-11-7-8-12-17/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3
InChIKey
ATCOBBKSXIUUSI-UHFFFAOYSA-N
Compound name
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 167.5
[M+Na]+ 297.15734 170.0
[M-H]- 273.16084 173.1
[M+NH4]+ 292.20194 183.5
[M+K]+ 313.13128 168.9
[M+H-H2O]+ 257.16538 158.9
[M+HCOO]- 319.16632 187.1
[M+CH3COO]- 333.18197 203.2
[M+Na-2H]- 295.14279 166.1
[M]+ 274.16757 165.6
[M]- 274.16867 165.6
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.