CID 485703

Vrc3971

Structural Information

Molecular Formula
C16H20FN3O5S
SMILES
C1CS(=O)(=O)CCC1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)N)F
InChI
InChI=1S/C16H20FN3O5S/c17-14-7-11(20-9-12(25-16(20)22)8-19-15(18)21)1-2-13(14)10-3-5-26(23,24)6-4-10/h1-2,7,10,12H,3-6,8-9H2,(H3,18,19,21)/t12-/m0/s1
InChIKey
OTGABYULKDCDOO-LBPRGKRZSA-N
Compound name
[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.11078 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11806 184.4
[M+Na]+ 408.10000 190.3
[M-H]- 384.10350 191.3
[M+NH4]+ 403.14460 196.3
[M+K]+ 424.07394 187.2
[M+H-H2O]+ 368.10804 176.3
[M+HCOO]- 430.10898 196.8
[M+CH3COO]- 444.12463 218.3
[M+Na-2H]- 406.08545 182.3
[M]+ 385.11023 181.7
[M]- 385.11133 181.7
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.