CID 78173372

Ns00117011

Structural Information

Molecular Formula
C20H22N2O7
SMILES
CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)NC3C(C(C(C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C20H22N2O7/c1-10(23)21-13-6-2-11(3-7-13)12-4-8-14(9-5-12)22-19-17(26)15(24)16(25)18(29-19)20(27)28/h2-9,15-19,22,24-26H,1H3,(H,21,23)(H,27,28)
InChIKey
FOSFMZROUHWIBO-UHFFFAOYSA-N
Compound name
6-[4-(4-acetamidophenyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1427 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14998 194.6
[M+Na]+ 425.13192 203.1
[M+NH4]+ 420.17652 197.7
[M+K]+ 441.10586 200.9
[M-H]- 401.13542 198.4
[M+Na-2H]- 423.11737 197.1
[M]+ 402.14215 196.2
[M]- 402.14325 196.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.