CID 3071435

N-(dibutylaminomethyl)valnoctamide hydrochloride

Structural Information

Molecular Formula
C17H36N2O
SMILES
CCCCN(CCCC)CNC(=O)C(CC)C(C)CC
InChI
InChI=1S/C17H36N2O/c1-6-10-12-19(13-11-7-2)14-18-17(20)16(9-4)15(5)8-3/h15-16H,6-14H2,1-5H3,(H,18,20)
InChIKey
DHLJPRYKXLBWGB-UHFFFAOYSA-N
Compound name
N-[(dibutylamino)methyl]-2-ethyl-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.28278 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.29006 181.4
[M+Na]+ 307.27200 182.2
[M-H]- 283.27550 181.2
[M+NH4]+ 302.31660 197.2
[M+K]+ 323.24594 181.7
[M+H-H2O]+ 267.28004 174.0
[M+HCOO]- 329.28098 201.5
[M+CH3COO]- 343.29663 216.5
[M+Na-2H]- 305.25745 178.3
[M]+ 284.28223 185.1
[M]- 284.28333 185.1
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.