CID 727590

Ethyl 3-[(phenoxyacetyl)amino]benzoate

Structural Information

Molecular Formula
C17H17NO4
SMILES
CCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C17H17NO4/c1-2-21-17(20)13-7-6-8-14(11-13)18-16(19)12-22-15-9-4-3-5-10-15/h3-11H,2,12H2,1H3,(H,18,19)
InChIKey
RVIMSSGPZQHLMV-UHFFFAOYSA-N
Compound name
ethyl 3-[(2-phenoxyacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.123026 168.9
[M+Na]+ 322.104968 173.9
[M-H]- 298.108474 175.1
[M+NH4]+ 317.149573 183.0
[M+K]+ 338.078908 171.5
[M+H-H2O]+ 282.113010 160.2
[M+HCOO]- 344.113951 192.5
[M+CH3COO]- 358.129601 204.1
[M+Na-2H]- 320.090416 172.6
[M]+ 299.11520142 171.5
[M]- 299.11629858 171.5
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.