CID 3071439

N-(diisopentylaminomethyl)valnoctamide hydrochloride

Structural Information

Molecular Formula
C19H40N2O
SMILES
CCC(C)C(CC)C(=O)NCN(CCC(C)C)CCC(C)C
InChI
InChI=1S/C19H40N2O/c1-8-17(7)18(9-2)19(22)20-14-21(12-10-15(3)4)13-11-16(5)6/h15-18H,8-14H2,1-7H3,(H,20,22)
InChIKey
AGTNKEASPOSSNW-UHFFFAOYSA-N
Compound name
N-[[bis(3-methylbutyl)amino]methyl]-2-ethyl-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.31406 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.32134 190.8
[M+Na]+ 335.30328 190.5
[M-H]- 311.30678 190.5
[M+NH4]+ 330.34788 205.5
[M+K]+ 351.27722 190.6
[M+H-H2O]+ 295.31132 183.4
[M+HCOO]- 357.31226 208.3
[M+CH3COO]- 371.32791 224.1
[M+Na-2H]- 333.28873 184.3
[M]+ 312.31351 194.1
[M]- 312.31461 194.1
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.