CID 93739

51959-91-2

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CCCCN(CCCC)C(=O)C1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H28N2O3/c1-3-5-14-21(15-6-4-2)20(25)17-12-13-18(23)22(17)19(24)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3
InChIKey
ZASBADBZECAFKT-UHFFFAOYSA-N
Compound name
1-benzoyl-N,N-dibutyl-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.21 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.217276 186.4
[M+Na]+ 367.199218 189.4
[M-H]- 343.202724 191.9
[M+NH4]+ 362.243823 200.0
[M+K]+ 383.173158 186.9
[M+H-H2O]+ 327.207260 177.4
[M+HCOO]- 389.208201 206.0
[M+CH3COO]- 403.223851 217.8
[M+Na-2H]- 365.184666 182.8
[M]+ 344.20945142 188.1
[M]- 344.21054858 188.1
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.