CID 495998

Nsc676523

Structural Information

Molecular Formula
C20H21NO6
SMILES
CCOC(=O)C(C(C(=O)NCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O)O
InChI
InChI=1S/C20H21NO6/c1-2-27-20(26)18(24)17(23)19(25)21-12-13-8-10-15(11-9-13)16(22)14-6-4-3-5-7-14/h3-11,17-18,23-24H,2,12H2,1H3,(H,21,25)
InChIKey
KMIFGTJBQUYBBJ-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-benzoylphenyl)methylamino]-2,3-dihydroxy-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1369 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14418 186.5
[M+Na]+ 394.12612 188.3
[M-H]- 370.12962 189.6
[M+NH4]+ 389.17072 195.6
[M+K]+ 410.10006 186.5
[M+H-H2O]+ 354.13416 177.9
[M+HCOO]- 416.13510 203.6
[M+CH3COO]- 430.15075 214.9
[M+Na-2H]- 392.11157 184.5
[M]+ 371.13635 186.8
[M]- 371.13745 186.8
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

No patent data available for this compound.