CID 6482326

(s)-n-[[3-(3-fluoro-4-(1,2,4-triazolyl)phenyl)-2-oxo-5-oxazolidinyl]methyl]-4-(2,4-dimethylphenyl)-4-oxobutanamide

Structural Information

Molecular Formula
C24H24FN5O4
SMILES
CC1=CC(=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4C=NC=N4)F)C
InChI
InChI=1S/C24H24FN5O4/c1-15-3-5-19(16(2)9-15)22(31)7-8-23(32)27-11-18-12-29(24(33)34-18)17-4-6-21(20(25)10-17)30-14-26-13-28-30/h3-6,9-10,13-14,18H,7-8,11-12H2,1-2H3,(H,27,32)/t18-/m0/s1
InChIKey
OPEWBEVKDFPQIM-SFHVURJKSA-N
Compound name
4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.18124 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.18852 210.6
[M+Na]+ 488.17046 217.0
[M-H]- 464.17396 218.7
[M+NH4]+ 483.21506 214.8
[M+K]+ 504.14440 212.3
[M+H-H2O]+ 448.17850 198.4
[M+HCOO]- 510.17944 225.8
[M+CH3COO]- 524.19509 237.2
[M+Na-2H]- 486.15591 204.7
[M]+ 465.18069 212.3
[M]- 465.18179 212.3
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.