CID 485741

Vrc3054

Structural Information

Molecular Formula
C16H15FN4O4S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NC3=NC=CS3)F
InChI
InChI=1S/C16H15FN4O4S/c1-9(22)19-7-11-8-21(16(24)25-11)10-2-3-12(13(17)6-10)14(23)20-15-18-4-5-26-15/h2-6,11H,7-8H2,1H3,(H,19,22)(H,18,20,23)/t11-/m0/s1
InChIKey
VLUOXNRLTNUIQZ-NSHDSACASA-N
Compound name
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

378.0798 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.08708 185.1
[M+Na]+ 401.06902 192.1
[M-H]- 377.07252 192.9
[M+NH4]+ 396.11362 196.4
[M+K]+ 417.04296 189.2
[M+H-H2O]+ 361.07706 176.5
[M+HCOO]- 423.07800 201.0
[M+CH3COO]- 437.09365 217.7
[M+Na-2H]- 399.05447 181.8
[M]+ 378.07925 186.9
[M]- 378.08035 186.9
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