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

1
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 178.8
[M+Na]+ 369.11694 185.2
[M-H]- 345.12044 182.7
[M+NH4]+ 364.16154 187.7
[M+K]+ 385.09088 181.7
[M+H-H2O]+ 329.12498 170.3
[M+HCOO]- 391.12592 194.5
[M+CH3COO]- 405.14157 206.8
[M+Na-2H]- 367.10239 176.4
[M]+ 346.12717 177.8
[M]- 346.12827 177.8
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

patents stripe