CID 476970

Schembl8407667

Structural Information

Molecular Formula
C15H14FN5O4S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NSC(=N3)C(=O)N)F
InChI
InChI=1S/C15H14FN5O4S/c1-7(22)18-5-9-6-21(15(24)25-9)8-2-3-10(11(16)4-8)13-19-14(12(17)23)26-20-13/h2-4,9H,5-6H2,1H3,(H2,17,23)(H,18,22)/t9-/m0/s1
InChIKey
ROEASSXMPYBRFW-VIFPVBQESA-N
Compound name
3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,2,4-thiadiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.07504 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08232 184.8
[M+Na]+ 402.06426 192.9
[M-H]- 378.06776 191.3
[M+NH4]+ 397.10886 194.6
[M+K]+ 418.03820 189.7
[M+H-H2O]+ 362.07230 175.9
[M+HCOO]- 424.07324 199.1
[M+CH3COO]- 438.08889 219.1
[M+Na-2H]- 400.04971 180.1
[M]+ 379.07449 186.2
[M]- 379.07559 186.2
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

patents stripe