CID 497415

Schembl7077051

Structural Information

Molecular Formula
C17H15FN4O5
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=C(N=C3)CO)F)COC4=NOC=C4
InChI
InChI=1S/C17H15FN4O5/c18-14-5-12(1-2-15(14)21-6-11(8-23)19-10-21)22-7-13(27-17(22)24)9-25-16-3-4-26-20-16/h1-6,10,13,23H,7-9H2/t13-/m1/s1
InChIKey
WRVAKMCDUAXMHB-CYBMUJFWSA-N
Compound name
(5R)-3-[3-fluoro-4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

374.10266 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10994 177.8
[M+Na]+ 397.09188 187.6
[M-H]- 373.09538 186.5
[M+NH4]+ 392.13648 186.2
[M+K]+ 413.06582 185.8
[M+H-H2O]+ 357.09992 168.4
[M+HCOO]- 419.10086 196.0
[M+CH3COO]- 433.11651 188.8
[M+Na-2H]- 395.07733 175.3
[M]+ 374.10211 182.6
[M]- 374.10321 182.6
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

patents stripe