CID 3062820

4'-(butylcarbamoyl)-2-(diethylamino)propionanilide hydrochloride

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CCCCNC(=O)C1=CC=C(C=C1)NC(=O)C(C)N(CC)CC
InChI
InChI=1S/C18H29N3O2/c1-5-8-13-19-18(23)15-9-11-16(12-10-15)20-17(22)14(4)21(6-2)7-3/h9-12,14H,5-8,13H2,1-4H3,(H,19,23)(H,20,22)
InChIKey
SYLUZVJJWLHLHL-UHFFFAOYSA-N
Compound name
N-butyl-4-[2-(diethylamino)propanoylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.22598 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.233256 182.8
[M+Na]+ 342.215198 184.6
[M-H]- 318.218704 186.6
[M+NH4]+ 337.259803 196.7
[M+K]+ 358.189138 183.5
[M+H-H2O]+ 302.223240 174.2
[M+HCOO]- 364.224181 205.7
[M+CH3COO]- 378.239831 221.6
[M+Na-2H]- 340.200646 181.9
[M]+ 319.22543142 184.7
[M]- 319.22652858 184.7
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.