CID 836162

Ethyl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C
InChI
InChI=1S/C18H19NO4/c1-3-22-18(21)14-6-8-15(9-7-14)19-17(20)12-23-16-10-4-13(2)5-11-16/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKey
LYMCJWVYNWCVPS-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 173.2
[M+Na]+ 336.120618 178.8
[M-H]- 312.124124 179.7
[M+NH4]+ 331.165223 187.1
[M+K]+ 352.094558 176.3
[M+H-H2O]+ 296.128660 164.6
[M+HCOO]- 358.129601 196.5
[M+CH3COO]- 372.145251 208.3
[M+Na-2H]- 334.106066 175.7
[M]+ 313.13085142 176.6
[M]- 313.13194858 176.6
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.