CID 57239

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

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCN(CC)CC(=O)NC1=CC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C15H22N2O3/c1-4-17(5-2)11-14(18)16-13-9-7-12(8-10-13)15(19)20-6-3/h7-10H,4-6,11H2,1-3H3,(H,16,18)
InChIKey
OZXXXWKFXZNBAL-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-(diethylamino)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 167.5
[M+Na]+ 301.15228 171.6
[M-H]- 277.15578 171.8
[M+NH4]+ 296.19688 183.4
[M+K]+ 317.12622 171.1
[M+H-H2O]+ 261.16032 159.6
[M+HCOO]- 323.16126 191.7
[M+CH3COO]- 337.17691 208.7
[M+Na-2H]- 299.13773 169.1
[M]+ 278.16251 171.1
[M]- 278.16361 171.1
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.