CID 485695

Vrc3901

Structural Information

Molecular Formula
C19H26FN3O6S
SMILES
C1CS(=O)(=O)CCC1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)[C@H](CCN)O)F
InChI
InChI=1S/C19H26FN3O6S/c20-16-9-13(1-2-15(16)12-4-7-30(27,28)8-5-12)23-11-14(29-19(23)26)10-22-18(25)17(24)3-6-21/h1-2,9,12,14,17,24H,3-8,10-11,21H2,(H,22,25)/t14-,17-/m0/s1
InChIKey
GSIKORCYGHASIC-YOEHRIQHSA-N
Compound name
(2S)-4-amino-N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.15265 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15993 198.9
[M+Na]+ 466.14187 202.2
[M-H]- 442.14537 203.8
[M+NH4]+ 461.18647 207.5
[M+K]+ 482.11581 199.3
[M+H-H2O]+ 426.14991 190.8
[M+HCOO]- 488.15085 208.0
[M+CH3COO]- 502.16650 228.5
[M+Na-2H]- 464.12732 194.8
[M]+ 443.15210 196.3
[M]- 443.15320 196.3
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.