CID 5277429

Chembl370694

Structural Information

Molecular Formula
C21H24FN5O5S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=C(S4)[N+](=O)[O-])F
InChI
InChI=1S/C21H24FN5O5S/c1-14(28)23-11-16-12-26(21(29)32-16)15-2-4-19(18(22)10-15)25-8-6-24(7-9-25)13-17-3-5-20(33-17)27(30)31/h2-5,10,16H,6-9,11-13H2,1H3,(H,23,28)/t16-/m0/s1
InChIKey
XCLISRODWKYLNB-INIZCTEOSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[4-[(5-nitrothiophen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

477.14822 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.15550 209.6
[M+Na]+ 500.13744 212.1
[M-H]- 476.14094 218.0
[M+NH4]+ 495.18204 214.1
[M+K]+ 516.11138 204.1
[M+H-H2O]+ 460.14548 203.7
[M+HCOO]- 522.14642 219.9
[M+CH3COO]- 536.16207 229.3
[M+Na-2H]- 498.12289 205.7
[M]+ 477.14767 205.7
[M]- 477.14877 205.7
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.