CID 485649

Vrc3599

Structural Information

Molecular Formula
C17H15FN4O7
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])F
InChI
InChI=1S/C17H15FN4O7/c1-9(23)19-7-11-8-21(17(25)28-11)10-2-3-13(12(18)6-10)20-16(24)14-4-5-15(29-14)22(26)27/h2-6,11H,7-8H2,1H3,(H,19,23)(H,20,24)/t11-/m0/s1
InChIKey
UNRTWWJBGIFQPN-NSHDSACASA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.09247 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09975 190.2
[M+Na]+ 429.08169 194.1
[M-H]- 405.08519 199.5
[M+NH4]+ 424.12629 198.1
[M+K]+ 445.05563 189.7
[M+H-H2O]+ 389.08973 185.7
[M+HCOO]- 451.09067 211.4
[M+CH3COO]- 465.10632 219.5
[M+Na-2H]- 427.06714 191.8
[M]+ 406.09192 189.5
[M]- 406.09302 189.5
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.