CID 3033633

Oxamide, n-(1,3-dihydroxy-1-(p-nitrophenyl)-2-propyl)-n'-(p-hydroxyphenyl)-, d-threo-, (-)-

Structural Information

Molecular Formula
C17H17N3O7
SMILES
C1=CC(=CC=C1[C@@H]([C@H](CO)NC(=O)C(=O)NC2=CC=C(C=C2)O)O)[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O7/c21-9-14(15(23)10-1-5-12(6-2-10)20(26)27)19-17(25)16(24)18-11-3-7-13(22)8-4-11/h1-8,14-15,21-23H,9H2,(H,18,24)(H,19,25)/t14-,15-/m0/s1
InChIKey
AJIXUSKSRNPQLT-GJZGRUSLSA-N
Compound name
N'-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-N-(4-hydroxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.10666 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11394 181.6
[M+Na]+ 398.09588 189.1
[M+NH4]+ 393.14048 184.3
[M+K]+ 414.06982 190.3
[M-H]- 374.09938 183.1
[M+Na-2H]- 396.08133 184.7
[M]+ 375.10611 182.2
[M]- 375.10721 182.2
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.