CID 485765

Vrc3409

Structural Information

Molecular Formula
C18H23FN2O5S
SMILES
CCOC(=O)C(C)(C)SC1=C(C=C(C=C1)N2C[C@@H](OC2=O)CNC(=O)C)F
InChI
InChI=1S/C18H23FN2O5S/c1-5-25-16(23)18(3,4)27-15-7-6-12(8-14(15)19)21-10-13(26-17(21)24)9-20-11(2)22/h6-8,13H,5,9-10H2,1-4H3,(H,20,22)/t13-/m0/s1
InChIKey
GYUFAMZTPNRWCN-ZDUSSCGKSA-N
Compound name
ethyl 2-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]sulfanyl-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

398.13116 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13844 193.1
[M+Na]+ 421.12038 198.7
[M-H]- 397.12388 197.7
[M+NH4]+ 416.16498 203.7
[M+K]+ 437.09432 196.7
[M+H-H2O]+ 381.12842 185.2
[M+HCOO]- 443.12936 204.8
[M+CH3COO]- 457.14501 222.2
[M+Na-2H]- 419.10583 189.8
[M]+ 398.13061 197.9
[M]- 398.13171 197.9
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