CID 485750

Vrc3395

Structural Information

Molecular Formula
C15H14FN5O4S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NC3=NN=CS3)F
InChI
InChI=1S/C15H14FN5O4S/c1-8(22)17-5-10-6-21(15(24)25-10)9-2-3-11(12(16)4-9)13(23)19-14-20-18-7-26-14/h2-4,7,10H,5-6H2,1H3,(H,17,22)(H,19,20,23)/t10-/m0/s1
InChIKey
AWHWQQXULRDBDJ-JTQLQIEISA-N
Compound name
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
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 184.1
[M+Na]+ 402.06426 191.4
[M-H]- 378.06776 190.8
[M+NH4]+ 397.10886 194.0
[M+K]+ 418.03820 188.6
[M+H-H2O]+ 362.07230 174.9
[M+HCOO]- 424.07324 199.1
[M+CH3COO]- 438.08889 217.6
[M+Na-2H]- 400.04971 181.1
[M]+ 379.07449 185.9
[M]- 379.07559 185.9
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