CID 485653

Vrc3659

Structural Information

Molecular Formula
C18H17FN4O7
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N(C)C(=O)C3=CC=C(O3)[N+](=O)[O-])F
InChI
InChI=1S/C18H17FN4O7/c1-10(24)20-8-12-9-22(18(26)29-12)11-3-4-14(13(19)7-11)21(2)17(25)15-5-6-16(30-15)23(27)28/h3-7,12H,8-9H2,1-2H3,(H,20,24)/t12-/m0/s1
InChIKey
GVDORZGMVUSMDE-LBPRGKRZSA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methyl-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.10812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11540 195.2
[M+Na]+ 443.09734 198.9
[M-H]- 419.10084 205.8
[M+NH4]+ 438.14194 203.2
[M+K]+ 459.07128 195.7
[M+H-H2O]+ 403.10538 190.7
[M+HCOO]- 465.10632 216.6
[M+CH3COO]- 479.12197 225.5
[M+Na-2H]- 441.08279 195.6
[M]+ 420.10757 196.0
[M]- 420.10867 196.0
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.