CID 3075854

Brn 3621734

Structural Information

Molecular Formula
C21H40N2O2
SMILES
CCCC(CCC)C(=O)NC1CCN(CC1)C(=O)C(CCC)CCC
InChI
InChI=1S/C21H40N2O2/c1-5-9-17(10-6-2)20(24)22-19-13-15-23(16-14-19)21(25)18(11-7-3)12-8-4/h17-19H,5-16H2,1-4H3,(H,22,24)
InChIKey
INJNHEWETIXIHC-UHFFFAOYSA-N
Compound name
2-propyl-N-[1-(2-propylpentanoyl)piperidin-4-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.309 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.31628 196.0
[M+Na]+ 375.29822 194.9
[M-H]- 351.30172 195.3
[M+NH4]+ 370.34282 207.0
[M+K]+ 391.27216 192.5
[M+H-H2O]+ 335.30626 187.5
[M+HCOO]- 397.30720 208.7
[M+CH3COO]- 411.32285 221.6
[M+Na-2H]- 373.28367 189.7
[M]+ 352.30845 194.9
[M]- 352.30955 194.9
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.