CID 485647

Vrc3578

Structural Information

Molecular Formula
C17H15BrFN3O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(O3)Br)F
InChI
InChI=1S/C17H15BrFN3O5/c1-9(23)20-7-11-8-22(17(25)26-11)10-2-3-13(12(19)6-10)21-16(24)14-4-5-15(18)27-14/h2-6,11H,7-8H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKey
SWMRTNXBCUTCDG-NSHDSACASA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-bromofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.0179 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.02518 196.0
[M+Na]+ 462.00712 204.9
[M-H]- 438.01062 207.2
[M+NH4]+ 457.05172 207.9
[M+K]+ 477.98106 195.9
[M+H-H2O]+ 422.01516 192.9
[M+HCOO]- 484.01610 213.9
[M+CH3COO]- 498.03175 225.8
[M+Na-2H]- 459.99257 194.7
[M]+ 439.01735 215.2
[M]- 439.01845 215.2
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.