CID 485659

Vrc3684

Structural Information

Molecular Formula
C18H16FN3O6
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(O3)C=O)F
InChI
InChI=1S/C18H16FN3O6/c1-10(24)20-7-13-8-22(18(26)28-13)11-2-4-15(14(19)6-11)21-17(25)16-5-3-12(9-23)27-16/h2-6,9,13H,7-8H2,1H3,(H,20,24)(H,21,25)/t13-/m0/s1
InChIKey
KRJBCDNSYUPOJU-ZDUSSCGKSA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-formylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.10233 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10961 188.3
[M+Na]+ 412.09155 194.6
[M-H]- 388.09505 197.8
[M+NH4]+ 407.13615 198.2
[M+K]+ 428.06549 193.7
[M+H-H2O]+ 372.09959 179.7
[M+HCOO]- 434.10053 208.9
[M+CH3COO]- 448.11618 223.1
[M+Na-2H]- 410.07700 186.2
[M]+ 389.10178 190.6
[M]- 389.10288 190.6
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.