CID 6482324

(s)-n-[[3-(3-fluoro-4-benzotriazolylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-(4-chlorophenyl)-4-oxobutanamide

Structural Information

Molecular Formula
C26H22ClFN5O4
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)[N+]3=C4C=CC=CC4=NN3)F)CNC(=O)CCC(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H21ClFN5O4/c27-17-7-5-16(6-8-17)24(34)11-12-25(35)29-14-19-15-32(26(36)37-19)18-9-10-22(20(28)13-18)33-23-4-2-1-3-21(23)30-31-33/h1-10,13,19H,11-12,14-15H2,(H,29,35)/p+1/t19-/m0/s1
InChIKey
BWTKLMSUIXIDAF-IBGZPJMESA-O
Compound name
N-[[(5S)-3-[4-(2H-benzotriazol-1-ium-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-chlorophenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.13446 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.14174 223.6
[M+Na]+ 545.12368 230.3
[M-H]- 521.12718 231.3
[M+NH4]+ 540.16828 225.9
[M+K]+ 561.09762 217.8
[M+H-H2O]+ 505.13172 213.5
[M+HCOO]- 567.13266 232.2
[M+CH3COO]- 581.14831 234.5
[M+Na-2H]- 543.10913 222.0
[M]+ 522.13391 225.2
[M]- 522.13501 225.2
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.