CID 93742

57632-70-9

Structural Information

Molecular Formula
C22H32N2O3
SMILES
CCCCCN(CCCCC)C(=O)C1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H32N2O3/c1-3-5-10-16-23(17-11-6-4-2)22(27)19-14-15-20(25)24(19)21(26)18-12-8-7-9-13-18/h7-9,12-13,19H,3-6,10-11,14-17H2,1-2H3
InChIKey
AQWNKMIOQXJKGV-UHFFFAOYSA-N
Compound name
1-benzoyl-5-oxo-N,N-dipentylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2413 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.248576 195.4
[M+Na]+ 395.230518 197.6
[M-H]- 371.234024 200.5
[M+NH4]+ 390.275123 207.9
[M+K]+ 411.204458 194.6
[M+H-H2O]+ 355.238560 186.1
[M+HCOO]- 417.239501 214.4
[M+CH3COO]- 431.255151 223.7
[M+Na-2H]- 393.215966 190.9
[M]+ 372.24075142 197.8
[M]- 372.24184858 197.8
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.