CID 3006439

Carbamic acid, [[[4-[(5s)-5-[(acetylamino)methyl]-2-oxo-3-oxazolidinyl]-2-fluorophenyl]amino]thioxomethyl]-, methyl ester

Structural Information

Molecular Formula
C15H17FN4O5S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=S)NC(=O)OC)F
InChI
InChI=1S/C15H17FN4O5S/c1-8(21)17-6-10-7-20(15(23)25-10)9-3-4-12(11(16)5-9)18-13(26)19-14(22)24-2/h3-5,10H,6-7H2,1-2H3,(H,17,21)(H2,18,19,22,26)/t10-/m0/s1
InChIKey
SPXVEZOWCVRGNN-JTQLQIEISA-N
Compound name
methyl N-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamothioyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.09036 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09764 188.0
[M+Na]+ 407.07958 192.8
[M-H]- 383.08308 192.8
[M+NH4]+ 402.12418 198.2
[M+K]+ 423.05352 190.8
[M+H-H2O]+ 367.08762 179.0
[M+HCOO]- 429.08856 203.2
[M+CH3COO]- 443.10421 222.1
[M+Na-2H]- 405.06503 185.2
[M]+ 384.08981 189.1
[M]- 384.09091 189.1
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