CID 56324

92033-58-4

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)NCC(=O)N(C)C
InChI
InChI=1S/C13H18N2O3/c1-4-18-13(17)10-5-7-11(8-6-10)14-9-12(16)15(2)3/h5-8,14H,4,9H2,1-3H3
InChIKey
VGPJDUTVFJMTOM-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 158.2
[M+Na]+ 273.120958 163.2
[M-H]- 249.124464 162.9
[M+NH4]+ 268.165563 175.3
[M+K]+ 289.094898 163.1
[M+H-H2O]+ 233.129000 150.7
[M+HCOO]- 295.129941 183.0
[M+CH3COO]- 309.145591 202.7
[M+Na-2H]- 271.106406 160.9
[M]+ 250.13119142 161.1
[M]- 250.13228858 161.1
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.