CID 3006435

Benzoic acid, 2-fluoro-4-[(5s)-2-oxo-5-[[(1-thioxoethyl)amino]methyl]-3-oxazolidinyl]-, hydrazide

Structural Information

Molecular Formula
C13H15FN4O3S
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NN)F
InChI
InChI=1S/C13H15FN4O3S/c1-7(22)16-5-9-6-18(13(20)21-9)8-2-3-10(11(14)4-8)12(19)17-15/h2-4,9H,5-6,15H2,1H3,(H,16,22)(H,17,19)/t9-/m0/s1
InChIKey
MLIGPBGZYHRMMA-VIFPVBQESA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(hydrazinecarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

326.0849 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09218 174.1
[M+Na]+ 349.07412 180.2
[M-H]- 325.07762 178.6
[M+NH4]+ 344.11872 186.6
[M+K]+ 365.04806 176.9
[M+H-H2O]+ 309.08216 165.4
[M+HCOO]- 371.08310 189.7
[M+CH3COO]- 385.09875 212.7
[M+Na-2H]- 347.05957 171.6
[M]+ 326.08435 172.2
[M]- 326.08545 172.2
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