CID 3039787

Brn 2877234

Structural Information

Molecular Formula
C19H33N3O
SMILES
CCCN(C)CC(C(=O)NC1=C(C=CC=C1C)C)N(C)CCC
InChI
InChI=1S/C19H33N3O/c1-7-12-21(5)14-17(22(6)13-8-2)19(23)20-18-15(3)10-9-11-16(18)4/h9-11,17H,7-8,12-14H2,1-6H3,(H,20,23)
InChIKey
LQJONQMQKGAOPW-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2,3-bis[methyl(propyl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.26236 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.269636 185.3
[M+Na]+ 342.251578 187.8
[M-H]- 318.255084 190.7
[M+NH4]+ 337.296183 200.3
[M+K]+ 358.225518 187.3
[M+H-H2O]+ 302.259620 176.7
[M+HCOO]- 364.260561 208.9
[M+CH3COO]- 378.276211 227.7
[M+Na-2H]- 340.237026 183.5
[M]+ 319.26181142 189.2
[M]- 319.26290858 189.2
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.