CID 485687

Pnu-176723

Structural Information

Molecular Formula
C17H22FN3O4S
SMILES
CC(=O)NNC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=O)CC3)F
InChI
InChI=1S/C17H22FN3O4S/c1-11(22)20-19-9-14-10-21(17(23)25-14)13-2-3-15(16(18)8-13)12-4-6-26(24)7-5-12/h2-3,8,12,14,19H,4-7,9-10H2,1H3,(H,20,22)/t12?,14-,26?/m0/s1
InChIKey
LABFOMIWTLLWFC-RQXQQJJBSA-N
Compound name
N'-[[(5R)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13878 187.7
[M+Na]+ 406.12072 192.3
[M-H]- 382.12422 194.8
[M+NH4]+ 401.16532 198.1
[M+K]+ 422.09466 188.8
[M+H-H2O]+ 366.12876 178.5
[M+HCOO]- 428.12970 200.1
[M+CH3COO]- 442.14535 220.4
[M+Na-2H]- 404.10617 184.0
[M]+ 383.13095 185.0
[M]- 383.13205 185.0
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.