CID 165818577

Ethyl2-(4-chlorophenyl)-3-[(propan-2-yl)amino]propanoatehydrochloride

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CCOC(=O)C(CNC(C)C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H20ClNO2/c1-4-18-14(17)13(9-16-10(2)3)11-5-7-12(15)8-6-11/h5-8,10,13,16H,4,9H2,1-3H3
InChIKey
WWDBUHNDGFILSE-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11826 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12554 162.9
[M+Na]+ 292.10748 168.6
[M-H]- 268.11098 166.0
[M+NH4]+ 287.15208 179.9
[M+K]+ 308.08142 165.2
[M+H-H2O]+ 252.11552 157.1
[M+HCOO]- 314.11646 180.0
[M+CH3COO]- 328.13211 201.2
[M+Na-2H]- 290.09293 163.8
[M]+ 269.11771 166.6
[M]- 269.11881 166.6
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.