CID 476934

3-{4-[(s)-5-(acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl}-pyrazole-1-carboxylic acid methyl ester

Structural Information

Molecular Formula
C17H17FN4O5
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN(C=C3)C(=O)OC)F
InChI
InChI=1S/C17H17FN4O5/c1-10(23)19-8-12-9-21(16(24)27-12)11-3-4-13(14(18)7-11)15-5-6-22(20-15)17(25)26-2/h3-7,12H,8-9H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKey
XDTKZDYERNFCCQ-LBPRGKRZSA-N
Compound name
methyl 3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1183 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.12558 184.4
[M+Na]+ 399.10752 191.9
[M-H]- 375.11102 190.9
[M+NH4]+ 394.15212 194.1
[M+K]+ 415.08146 190.1
[M+H-H2O]+ 359.11556 174.5
[M+HCOO]- 421.11650 202.4
[M+CH3COO]- 435.13215 217.6
[M+Na-2H]- 397.09297 181.1
[M]+ 376.11775 186.7
[M]- 376.11885 186.7
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.