CID 3039788

Brn 2886310

Structural Information

Molecular Formula
C19H33N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(CN(C)C(C)C)N(C)C(C)C
InChI
InChI=1S/C19H33N3O/c1-13(2)21(7)12-17(22(8)14(3)4)19(23)20-18-15(5)10-9-11-16(18)6/h9-11,13-14,17H,12H2,1-8H3,(H,20,23)
InChIKey
GANOAUNHAMJDSY-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2,3-bis[methyl(propan-2-yl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.26236 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.26964 185.1
[M+Na]+ 342.25158 187.2
[M-H]- 318.25508 190.7
[M+NH4]+ 337.29618 200.0
[M+K]+ 358.22552 187.9
[M+H-H2O]+ 302.25962 176.9
[M+HCOO]- 364.26056 206.7
[M+CH3COO]- 378.27621 229.6
[M+Na-2H]- 340.23703 181.0
[M]+ 319.26181 187.8
[M]- 319.26291 187.8
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

No patent data available for this compound.