CID 93738

51959-89-8

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCCN(CCC)C(=O)C1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H24N2O3/c1-3-12-19(13-4-2)18(23)15-10-11-16(21)20(15)17(22)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKey
VLJYURHJBDTROS-UHFFFAOYSA-N
Compound name
1-benzoyl-5-oxo-N,N-dipropylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 177.2
[M+Na]+ 339.167898 181.2
[M-H]- 315.171404 183.1
[M+NH4]+ 334.212503 192.0
[M+K]+ 355.141838 179.1
[M+H-H2O]+ 299.175940 168.6
[M+HCOO]- 361.176881 197.6
[M+CH3COO]- 375.192531 211.9
[M+Na-2H]- 337.153346 174.8
[M]+ 316.17813142 178.2
[M]- 316.17922858 178.2
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.