CID 21515260

88351-63-7

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCN(CCC(=O)OC)C1=CC=CC(=C1)NC(=O)C
InChI
InChI=1S/C14H20N2O3/c1-4-16(9-8-14(18)19-3)13-7-5-6-12(10-13)15-11(2)17/h5-7,10H,4,8-9H2,1-3H3,(H,15,17)
InChIKey
AOEBDRLRNJNHSY-UHFFFAOYSA-N
Compound name
methyl 3-(3-acetamido-N-ethylanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

264.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 162.8
[M+Na]+ 287.136618 167.4
[M-H]- 263.140124 167.4
[M+NH4]+ 282.181223 179.4
[M+K]+ 303.110558 167.1
[M+H-H2O]+ 247.144660 155.2
[M+HCOO]- 309.145601 187.3
[M+CH3COO]- 323.161251 205.7
[M+Na-2H]- 285.122066 165.0
[M]+ 264.14685142 166.1
[M]- 264.14794858 166.1
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

patents stripe