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]+ 320.26964 185.3
[M+Na]+ 342.25158 187.8
[M-H]- 318.25508 190.7
[M+NH4]+ 337.29618 200.3
[M+K]+ 358.22552 187.3
[M+H-H2O]+ 302.25962 176.7
[M+HCOO]- 364.26056 208.9
[M+CH3COO]- 378.27621 227.7
[M+Na-2H]- 340.23703 183.5
[M]+ 319.26181 189.2
[M]- 319.26291 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.