CID 3049996

N,n-dibutyl-5-(dibutylamino)-4-hydroxypentanamide monohydrochloride

Structural Information

Molecular Formula
C21H44N2O2
SMILES
CCCCN(CCCC)CC(CCC(=O)N(CCCC)CCCC)O
InChI
InChI=1S/C21H44N2O2/c1-5-9-15-22(16-10-6-2)19-20(24)13-14-21(25)23(17-11-7-3)18-12-8-4/h20,24H,5-19H2,1-4H3
InChIKey
BHCGSYJCVPWLQF-UHFFFAOYSA-N
Compound name
N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.34027 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.34755 202.2
[M+Na]+ 379.32949 201.3
[M-H]- 355.33299 201.2
[M+NH4]+ 374.37409 215.1
[M+K]+ 395.30343 200.4
[M+H-H2O]+ 339.33753 193.9
[M+HCOO]- 401.33847 221.2
[M+CH3COO]- 415.35412 230.1
[M+Na-2H]- 377.31494 197.1
[M]+ 356.33972 208.9
[M]- 356.34082 208.9
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.