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]+ 376.113936 179.2
[M+Na]+ 398.095878 179.9
[M-H]- 374.099384 181.4
[M+NH4]+ 393.140483 186.4
[M+K]+ 414.069818 174.1
[M+H-H2O]+ 358.103920 175.1
[M+HCOO]- 420.104861 198.3
[M+CH3COO]- 434.120511 207.7
[M+Na-2H]- 396.081326 181.4
[M]+ 375.10611142 174.6
[M]- 375.10720858 174.6
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.