CID 6482322

Schembl3525093

Structural Information

Molecular Formula
C26H30FN3O5
SMILES
COC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCCCC4)F
InChI
InChI=1S/C26H30FN3O5/c1-34-20-8-5-18(6-9-20)24(31)11-12-25(32)28-16-21-17-30(26(33)35-21)19-7-10-23(22(27)15-19)29-13-3-2-4-14-29/h5-10,15,21H,2-4,11-14,16-17H2,1H3,(H,28,32)/t21-/m0/s1
InChIKey
SWVUHHBPNLHRLY-NRFANRHFSA-N
Compound name
N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methoxyphenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

483.21695 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.22423 216.6
[M+Na]+ 506.20617 218.3
[M-H]- 482.20967 224.6
[M+NH4]+ 501.25077 220.0
[M+K]+ 522.18011 214.6
[M+H-H2O]+ 466.21421 203.8
[M+HCOO]- 528.21515 228.7
[M+CH3COO]- 542.23080 240.0
[M+Na-2H]- 504.19162 210.5
[M]+ 483.21640 213.6
[M]- 483.21750 213.6
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

No patent data available for this compound.