CID 485777

Vrc-331

Structural Information

Molecular Formula
C23H26FN3O4
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CCC4=CC=CC=C4)F
InChI
InChI=1S/C23H26FN3O4/c24-20-14-18(7-8-21(20)26-10-12-30-13-11-26)27-16-19(31-23(27)29)15-25-22(28)9-6-17-4-2-1-3-5-17/h1-5,7-8,14,19H,6,9-13,15-16H2,(H,25,28)/t19-/m0/s1
InChIKey
KLSWEPWXTWWTDA-IBGZPJMESA-N
Compound name
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.19073 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19801 203.7
[M+Na]+ 450.17995 206.6
[M-H]- 426.18345 212.4
[M+NH4]+ 445.22455 208.3
[M+K]+ 466.15389 203.4
[M+H-H2O]+ 410.18799 191.3
[M+HCOO]- 472.18893 216.6
[M+CH3COO]- 486.20458 210.5
[M+Na-2H]- 448.16540 200.9
[M]+ 427.19018 199.9
[M]- 427.19128 199.9
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.