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 179.2
[M+Na]+ 398.09588 179.9
[M-H]- 374.09938 181.4
[M+NH4]+ 393.14048 186.4
[M+K]+ 414.06982 174.1
[M+H-H2O]+ 358.10392 175.1
[M+HCOO]- 420.10486 198.3
[M+CH3COO]- 434.12051 207.7
[M+Na-2H]- 396.08133 181.4
[M]+ 375.10611 174.6
[M]- 375.10721 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.