CID 485748

Vrc3311

Structural Information

Molecular Formula
C18H17FN4O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NC3=CC=NC=C3)F
InChI
InChI=1S/C18H17FN4O4/c1-11(24)21-9-14-10-23(18(26)27-14)13-2-3-15(16(19)8-13)17(25)22-12-4-6-20-7-5-12/h2-8,14H,9-10H2,1H3,(H,21,24)(H,20,22,25)/t14-/m0/s1
InChIKey
HFVBXWVFRQSGKX-AWEZNQCLSA-N
Compound name
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-pyridin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.12338 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13066 185.8
[M+Na]+ 395.11260 191.6
[M-H]- 371.11610 192.7
[M+NH4]+ 390.15720 194.4
[M+K]+ 411.08654 188.6
[M+H-H2O]+ 355.12064 174.7
[M+HCOO]- 417.12158 204.8
[M+CH3COO]- 431.13723 220.3
[M+Na-2H]- 393.09805 185.7
[M]+ 372.12283 184.6
[M]- 372.12393 184.6
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

patents stripe