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]+ 320.23326 182.8
[M+Na]+ 342.21520 184.6
[M-H]- 318.21870 186.6
[M+NH4]+ 337.25980 196.7
[M+K]+ 358.18914 183.5
[M+H-H2O]+ 302.22324 174.2
[M+HCOO]- 364.22418 205.7
[M+CH3COO]- 378.23983 221.6
[M+Na-2H]- 340.20065 181.9
[M]+ 319.22543 184.7
[M]- 319.22653 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.