CID 93741

Einecs 260-863-6

Structural Information

Molecular Formula
C24H36N2O3
SMILES
CCCCCCN(CCCCCC)C(=O)C1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H36N2O3/c1-3-5-7-12-18-25(19-13-8-6-4-2)24(29)21-16-17-22(27)26(21)23(28)20-14-10-9-11-15-20/h9-11,14-15,21H,3-8,12-13,16-19H2,1-2H3
InChIKey
PYZKOIZVQCSZBO-UHFFFAOYSA-N
Compound name
1-benzoyl-N,N-dihexyl-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.27258 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.27986 204.4
[M+Na]+ 423.26180 205.7
[M-H]- 399.26530 209.1
[M+NH4]+ 418.30640 215.7
[M+K]+ 439.23574 202.2
[M+H-H2O]+ 383.26984 194.7
[M+HCOO]- 445.27078 222.7
[M+CH3COO]- 459.28643 229.6
[M+Na-2H]- 421.24725 198.8
[M]+ 400.27203 207.5
[M]- 400.27313 207.5
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.