CID 69084898

Bms-984923

Structural Information

Molecular Formula
C22H15ClN2O2
SMILES
C1=CC=C(C=C1)C#CC2=CC(=CN=C2)[C@@H]3[C@H](OC(=O)N3)C4=CC=CC=C4Cl
InChI
InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1
InChIKey
IAYVUQJOKDFLAL-NHCUHLMSSA-N
Compound name
(4R,5R)-5-(2-chlorophenyl)-4-[5-(2-phenylethynyl)pyridin-3-yl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13
Patents

374.0822 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08948 191.3
[M+Na]+ 397.07142 202.5
[M-H]- 373.07492 196.1
[M+NH4]+ 392.11602 198.9
[M+K]+ 413.04536 191.1
[M+H-H2O]+ 357.07946 174.5
[M+HCOO]- 419.08040 198.8
[M+CH3COO]- 433.09605 198.5
[M+Na-2H]- 395.05687 189.7
[M]+ 374.08165 184.6
[M]- 374.08275 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

literature stripe

Patent stripe

patents stripe