CID 497402

(5r)-3-[4-(4-aminoimidazol-1-yl)-3-fluoro-phenyl]-5-(2-pyridyloxymethyl)oxazolidin-2-one

Structural Information

Molecular Formula
C18H16FN5O3
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=C(N=C3)N)F)COC4=CC=CC=N4
InChI
InChI=1S/C18H16FN5O3/c19-14-7-12(4-5-15(14)23-9-16(20)22-11-23)24-8-13(27-18(24)25)10-26-17-3-1-2-6-21-17/h1-7,9,11,13H,8,10,20H2/t13-/m1/s1
InChIKey
CRSODHUCZVMPST-CYBMUJFWSA-N
Compound name
(5R)-3-[4-(4-aminoimidazol-1-yl)-3-fluorophenyl]-5-(pyridin-2-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13100 182.9
[M+Na]+ 392.11294 191.5
[M-H]- 368.11644 190.7
[M+NH4]+ 387.15754 190.9
[M+K]+ 408.08688 186.9
[M+H-H2O]+ 352.12098 170.8
[M+HCOO]- 414.12192 200.9
[M+CH3COO]- 428.13757 192.6
[M+Na-2H]- 390.09839 181.4
[M]+ 369.12317 182.5
[M]- 369.12427 182.5
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.