CID 57190

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

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N(C)C
InChI
InChI=1S/C14H20N2O3/c1-5-19-14(18)11-6-8-12(9-7-11)15-13(17)10(2)16(3)4/h6-10H,5H2,1-4H3,(H,15,17)
InChIKey
KJXGBUNUOYDNFK-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(dimethylamino)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

264.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 163.0
[M+Na]+ 287.136618 167.3
[M-H]- 263.140124 167.6
[M+NH4]+ 282.181223 179.4
[M+K]+ 303.110558 167.6
[M+H-H2O]+ 247.144660 155.5
[M+HCOO]- 309.145601 186.5
[M+CH3COO]- 323.161251 206.6
[M+Na-2H]- 285.122066 163.9
[M]+ 264.14685142 165.6
[M]- 264.14794858 165.6
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.