CID 37309

Acetamide, n-(2,6-dimethylphenyl)-2-(heptylmethylamino)-, monohydrochloride

Structural Information

Molecular Formula
C18H30N2O
SMILES
CCCCCCCN(C)CC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C18H30N2O/c1-5-6-7-8-9-13-20(4)14-17(21)19-18-15(2)11-10-12-16(18)3/h10-12H,5-9,13-14H2,1-4H3,(H,19,21)
InChIKey
QVCAEZCAUFJGGS-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-[heptyl(methyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

290.2358 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.243076 175.9
[M+Na]+ 313.225018 179.8
[M-H]- 289.228524 179.9
[M+NH4]+ 308.269623 191.9
[M+K]+ 329.198958 177.4
[M+H-H2O]+ 273.233060 167.9
[M+HCOO]- 335.234001 199.3
[M+CH3COO]- 349.249651 215.4
[M+Na-2H]- 311.210466 176.3
[M]+ 290.23525142 179.5
[M]- 290.23634858 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe