CID 504889

4-[(2-ethoxyphenyl)(2-phenoxyethyl)amino]-2,4-dioxobutanoic acid

Structural Information

Molecular Formula
C20H21NO6
SMILES
CCOC1=CC=CC=C1N(CCOC2=CC=CC=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C20H21NO6/c1-2-26-18-11-7-6-10-16(18)21(19(23)14-17(22)20(24)25)12-13-27-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,24,25)
InChIKey
HXABZCQMKIEFPM-UHFFFAOYSA-N
Compound name
4-[2-ethoxy-N-(2-phenoxyethyl)anilino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1369 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14418 186.3
[M+Na]+ 394.12612 189.2
[M-H]- 370.12962 192.0
[M+NH4]+ 389.17072 196.8
[M+K]+ 410.10006 188.3
[M+H-H2O]+ 354.13416 176.9
[M+HCOO]- 416.13510 207.4
[M+CH3COO]- 430.15075 219.0
[M+Na-2H]- 392.11157 186.4
[M]+ 371.13635 190.9
[M]- 371.13745 190.9
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.