CID 49802052

Opv

Structural Information

Molecular Formula
C16H18N4O5
SMILES
C[C@H]1[C@@H](C(=O)N(O1)CCC2=CN=CN2)NC(=O)C3=C(C(=CC=C3)O)O
InChI
InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13-/m0/s1
InChIKey
YQXURFXJBIFMOA-ZANVPECISA-N
Compound name
2,3-dihydroxy-N-[(4S,5S)-2-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.12772 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13500 180.7
[M+Na]+ 369.11694 189.1
[M+NH4]+ 364.16154 183.6
[M+K]+ 385.09088 190.7
[M-H]- 345.12044 182.1
[M+Na-2H]- 367.10239 182.6
[M]+ 346.12717 181.6
[M]- 346.12827 181.6
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.