CID 57261

P-(2-(diethylamino)propionamido)benzoic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCN(CC)C(C)C(=O)NC1=CC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C16H24N2O3/c1-5-18(6-2)12(4)15(19)17-14-10-8-13(9-11-14)16(20)21-7-3/h8-12H,5-7H2,1-4H3,(H,17,19)
InChIKey
NJGNWRLWOXUBSX-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(diethylamino)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 172.3
[M+Na]+ 315.167898 175.8
[M-H]- 291.171404 176.6
[M+NH4]+ 310.212503 187.6
[M+K]+ 331.141838 175.6
[M+H-H2O]+ 275.175940 164.4
[M+HCOO]- 337.176881 195.2
[M+CH3COO]- 351.192531 212.6
[M+Na-2H]- 313.153346 172.2
[M]+ 292.17813142 175.7
[M]- 292.17922858 175.7
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.