CID 6482342

(s)-n-[[3-(3-fluoro-4-pyrrolidylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-(4-(2-methylpropyl)phenyl)-4-oxobutanamide

Structural Information

Molecular Formula
C28H34FN3O4
SMILES
CC(C)CC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCCC4)F
InChI
InChI=1S/C28H34FN3O4/c1-19(2)15-20-5-7-21(8-6-20)26(33)11-12-27(34)30-17-23-18-32(28(35)36-23)22-9-10-25(24(29)16-22)31-13-3-4-14-31/h5-10,16,19,23H,3-4,11-15,17-18H2,1-2H3,(H,30,34)/t23-/m0/s1
InChIKey
QQTQSMHPOMUNPB-QHCPKHFHSA-N
Compound name
N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.25333 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.26061 221.9
[M+Na]+ 518.24255 223.4
[M-H]- 494.24605 230.6
[M+NH4]+ 513.28715 227.1
[M+K]+ 534.21649 219.4
[M+H-H2O]+ 478.25059 210.7
[M+HCOO]- 540.25153 234.6
[M+CH3COO]- 554.26718 243.7
[M+Na-2H]- 516.22800 212.1
[M]+ 495.25278 220.2
[M]- 495.25388 220.2
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.