CID 6475968

Vrc3733

Structural Information

Molecular Formula
C19H17FN4O7
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(O3)/C=C/[N+](=O)[O-])F
InChI
InChI=1S/C19H17FN4O7/c1-11(25)21-9-14-10-23(19(27)31-14)12-2-4-16(15(20)8-12)22-18(26)17-5-3-13(30-17)6-7-24(28)29/h2-8,14H,9-10H2,1H3,(H,21,25)(H,22,26)/b7-6+/t14-/m0/s1
InChIKey
VNUGUOTVSCCUHH-UZYOAWRESA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.10812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11540 199.3
[M+Na]+ 455.09734 202.6
[M-H]- 431.10084 208.3
[M+NH4]+ 450.14194 206.1
[M+K]+ 471.07128 197.3
[M+H-H2O]+ 415.10538 194.5
[M+HCOO]- 477.10632 220.0
[M+CH3COO]- 491.12197 223.9
[M+Na-2H]- 453.08279 199.8
[M]+ 432.10757 198.4
[M]- 432.10867 198.4
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.