CID 9575359

Vrc3732

Structural Information

Molecular Formula
C18H17FN4O6
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(O3)/C=N/O)F
InChI
InChI=1S/C18H17FN4O6/c1-10(24)20-7-13-9-23(18(26)29-13)11-2-4-15(14(19)6-11)22-17(25)16-5-3-12(28-16)8-21-27/h2-6,8,13,27H,7,9H2,1H3,(H,20,24)(H,22,25)/b21-8+/t13-/m0/s1
InChIKey
DGZJDLAMMDFKEQ-OOMAIKSQSA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-hydroxyiminomethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.11322 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.12050 192.4
[M+Na]+ 427.10244 197.7
[M-H]- 403.10594 201.8
[M+NH4]+ 422.14704 201.3
[M+K]+ 443.07638 197.0
[M+H-H2O]+ 387.11048 183.2
[M+HCOO]- 449.11142 213.9
[M+CH3COO]- 463.12707 228.1
[M+Na-2H]- 425.08789 191.0
[M]+ 404.11267 193.9
[M]- 404.11377 193.9
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

No patent data available for this compound.