CID 485767

Vrc3434

Structural Information

Molecular Formula
C17H19FN2O5S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)SC3(CCOC3=O)C)F
InChI
InChI=1S/C17H19FN2O5S/c1-10(21)19-8-12-9-20(16(23)25-12)11-3-4-14(13(18)7-11)26-17(2)5-6-24-15(17)22/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,21)/t12-,17?/m0/s1
InChIKey
SGAVAMVETRYOJU-WHUIICBVSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(3-methyl-2-oxooxolan-3-yl)sulfanylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.09988 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10716 185.3
[M+Na]+ 405.08910 192.8
[M-H]- 381.09260 194.3
[M+NH4]+ 400.13370 199.0
[M+K]+ 421.06304 191.5
[M+H-H2O]+ 365.09714 179.4
[M+HCOO]- 427.09808 198.7
[M+CH3COO]- 441.11373 216.6
[M+Na-2H]- 403.07455 182.1
[M]+ 382.09933 188.3
[M]- 382.10043 188.3
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.