CID 15958491

2-pyridinepropanethioamide, n-[[(5s)-3-[4-(1h-1,2,3-benzotriazol-1-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]-

Structural Information

Molecular Formula
C24H21FN6O2S
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)F)CNC(=S)CCC5=CC=CC=N5
InChI
InChI=1S/C24H21FN6O2S/c25-19-13-17(9-10-21(19)31-22-7-2-1-6-20(22)28-29-31)30-15-18(33-24(30)32)14-27-23(34)11-8-16-5-3-4-12-26-16/h1-7,9-10,12-13,18H,8,11,14-15H2,(H,27,34)/t18-/m0/s1
InChIKey
XTBATNKSAPPWAE-SFHVURJKSA-N
Compound name
N-[[(5S)-3-[4-(benzotriazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-pyridin-2-ylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

476.14307 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.15035 210.6
[M+Na]+ 499.13229 220.2
[M-H]- 475.13579 218.7
[M+NH4]+ 494.17689 215.2
[M+K]+ 515.10623 212.7
[M+H-H2O]+ 459.14033 199.2
[M+HCOO]- 521.14127 221.9
[M+CH3COO]- 535.15692 218.2
[M+Na-2H]- 497.11774 207.4
[M]+ 476.14252 213.7
[M]- 476.14362 213.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.