CID 485655

Vrc3667

Structural Information

Molecular Formula
C18H18FN3O5S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(O3)SC)F
InChI
InChI=1S/C18H18FN3O5S/c1-10(23)20-8-12-9-22(18(25)26-12)11-3-4-14(13(19)7-11)21-17(24)15-5-6-16(27-15)28-2/h3-7,12H,8-9H2,1-2H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKey
IXAMOQFFNLSRCW-LBPRGKRZSA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-methylsulfanylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.09512 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.10240 195.6
[M+Na]+ 430.08434 202.4
[M-H]- 406.08784 205.2
[M+NH4]+ 425.12894 205.9
[M+K]+ 446.05828 200.6
[M+H-H2O]+ 390.09238 187.9
[M+HCOO]- 452.09332 211.3
[M+CH3COO]- 466.10897 224.8
[M+Na-2H]- 428.06979 191.5
[M]+ 407.09457 199.8
[M]- 407.09567 199.8
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.