CID 844203

2-(2-ethoxy-4-formylphenoxy)-n-phenylacetamide

Structural Information

Molecular Formula
C17H17NO4
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H17NO4/c1-2-21-16-10-13(11-19)8-9-15(16)22-12-17(20)18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,18,20)
InChIKey
IQUVNNKPGICZQK-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

299.11575 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.123026 168.1
[M+Na]+ 322.104968 174.3
[M-H]- 298.108474 174.7
[M+NH4]+ 317.149573 182.6
[M+K]+ 338.078908 171.4
[M+H-H2O]+ 282.113010 159.5
[M+HCOO]- 344.113951 192.7
[M+CH3COO]- 358.129601 205.1
[M+Na-2H]- 320.090416 172.4
[M]+ 299.11520142 171.8
[M]- 299.11629858 171.8
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