CID 476942

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

Structural Information

Molecular Formula
C22H21FN4O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN(N=C3)CC4=CC=CC=C4)F
InChI
InChI=1S/C22H21FN4O3/c1-15(28)24-11-19-14-27(22(29)30-19)18-7-8-20(21(23)9-18)17-10-25-26(13-17)12-16-5-3-2-4-6-16/h2-10,13,19H,11-12,14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKey
VCBSVEBZJOPVPP-IBGZPJMESA-N
Compound name
N-[[(5S)-3-[4-(1-benzylpyrazol-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.15976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16704 196.1
[M+Na]+ 431.14898 203.0
[M-H]- 407.15248 205.2
[M+NH4]+ 426.19358 204.0
[M+K]+ 447.12292 198.2
[M+H-H2O]+ 391.15702 184.4
[M+HCOO]- 453.15796 214.0
[M+CH3COO]- 467.17361 205.1
[M+Na-2H]- 429.13443 192.7
[M]+ 408.15921 196.2
[M]- 408.16031 196.2
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.