CID 476939

N-[[(5s)-3-[3-fluoro-4-(1-tritylpyrazol-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

Structural Information

Molecular Formula
C34H29FN4O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN(N=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)F
InChI
InChI=1S/C34H29FN4O3/c1-24(40)36-21-30-23-38(33(41)42-30)29-17-18-31(32(35)19-29)25-20-37-39(22-25)34(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,22,30H,21,23H2,1H3,(H,36,40)/t30-/m0/s1
InChIKey
NEMCLUSACCMQAI-PMERELPUSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-tritylpyrazol-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.22235 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.22963 232.5
[M+Na]+ 583.21157 236.2
[M-H]- 559.21507 246.6
[M+NH4]+ 578.25617 232.5
[M+K]+ 599.18551 229.5
[M+H-H2O]+ 543.21961 218.3
[M+HCOO]- 605.22055 246.3
[M+CH3COO]- 619.23620 237.9
[M+Na-2H]- 581.19702 228.3
[M]+ 560.22180 230.3
[M]- 560.22290 230.3
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.