CID 504893

4-[n-(2,3-dihydrobenzofuran-2-ylmethyl)anilino]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C19H17NO5
SMILES
C1C(OC2=CC=CC=C21)CN(C3=CC=CC=C3)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C19H17NO5/c21-16(19(23)24)11-18(22)20(14-7-2-1-3-8-14)12-15-10-13-6-4-5-9-17(13)25-15/h1-9,15H,10-12H2,(H,23,24)
InChIKey
MYAXUIOMEAUXKO-UHFFFAOYSA-N
Compound name
4-[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)anilino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 178.1
[M+Na]+ 362.09992 181.9
[M-H]- 338.10342 185.8
[M+NH4]+ 357.14452 191.5
[M+K]+ 378.07386 181.1
[M+H-H2O]+ 322.10796 170.4
[M+HCOO]- 384.10890 197.5
[M+CH3COO]- 398.12455 212.1
[M+Na-2H]- 360.08537 179.1
[M]+ 339.11015 179.8
[M]- 339.11125 179.8
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.