CID 485656

Vrc3668

Structural Information

Molecular Formula
C17H15FN4O6S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-])F
InChI
InChI=1S/C17H15FN4O6S/c1-9(23)19-7-11-8-21(17(25)28-11)10-2-3-13(12(18)6-10)20-16(24)14-4-5-15(29-14)22(26)27/h2-6,11H,7-8H2,1H3,(H,19,23)(H,20,24)/t11-/m0/s1
InChIKey
BRIAAYKOCGFCQS-NSHDSACASA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-nitrothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.06964 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.07692 194.0
[M+Na]+ 445.05886 197.9
[M-H]- 421.06236 202.5
[M+NH4]+ 440.10346 203.2
[M+K]+ 461.03280 191.3
[M+H-H2O]+ 405.06690 189.8
[M+HCOO]- 467.06784 211.1
[M+CH3COO]- 481.08349 220.0
[M+Na-2H]- 443.04431 193.3
[M]+ 422.06909 193.3
[M]- 422.07019 193.3
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.