CID 497417

Schembl5833617

Structural Information

Molecular Formula
C16H14FN5O3
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=CN=C3)F)CNC4=NOC=C4
InChI
InChI=1S/C16H14FN5O3/c17-13-7-11(1-2-14(13)21-5-4-18-10-21)22-9-12(25-16(22)23)8-19-15-3-6-24-20-15/h1-7,10,12H,8-9H2,(H,19,20)/t12-/m0/s1
InChIKey
UECBYRCIJWRFOC-LBPRGKRZSA-N
Compound name
(5S)-3-(3-fluoro-4-imidazol-1-ylphenyl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

343.10806 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11534 171.6
[M+Na]+ 366.09728 181.1
[M-H]- 342.10078 181.2
[M+NH4]+ 361.14188 181.5
[M+K]+ 382.07122 178.8
[M+H-H2O]+ 326.10532 161.5
[M+HCOO]- 388.10626 192.3
[M+CH3COO]- 402.12191 183.1
[M+Na-2H]- 364.08273 171.2
[M]+ 343.10751 174.2
[M]- 343.10861 174.2
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.