CID 485657

Vrc3669

Structural Information

Molecular Formula
C17H15F2N3O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(O3)F)F
InChI
InChI=1S/C17H15F2N3O5/c1-9(23)20-7-11-8-22(17(25)26-11)10-2-3-13(12(18)6-10)21-16(24)14-4-5-15(19)27-14/h2-6,11H,7-8H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKey
MDGUMJYIMYLCAK-NSHDSACASA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-fluorofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.098 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10528 185.3
[M+Na]+ 402.08722 192.1
[M-H]- 378.09072 193.5
[M+NH4]+ 397.13182 195.8
[M+K]+ 418.06116 190.9
[M+H-H2O]+ 362.09526 176.0
[M+HCOO]- 424.09620 204.9
[M+CH3COO]- 438.11185 221.1
[M+Na-2H]- 400.07267 182.9
[M]+ 379.09745 185.6
[M]- 379.09855 185.6
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

No patent data available for this compound.