CID 184524

105668-70-0

Structural Information

Molecular Formula
C19H33N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCNCCN(C(C)C)C(C)C
InChI
InChI=1S/C19H33N3O/c1-14(2)22(15(3)4)13-12-20-11-10-18(23)21-19-16(5)8-7-9-17(19)6/h7-9,14-15,20H,10-13H2,1-6H3,(H,21,23)
InChIKey
XGONVQVTULAQFM-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

7
Patents

319.26236 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.26964 185.5
[M+Na]+ 342.25158 187.5
[M-H]- 318.25508 189.4
[M+NH4]+ 337.29618 199.7
[M+K]+ 358.22552 186.2
[M+H-H2O]+ 302.25962 177.1
[M+HCOO]- 364.26056 207.5
[M+CH3COO]- 378.27621 225.2
[M+Na-2H]- 340.23703 183.1
[M]+ 319.26181 187.4
[M]- 319.26291 187.4
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