CID 497383

(5r)-3-[3-fluoro-4-[1-(2-hydroxy-3-pyrrol-1-yl-propanoyl)-3,6-dihydro-2h-pyridin-4-yl]phenyl]-5-(isoxazol-3-yloxymethyl)oxazolidin-2-one

Structural Information

Molecular Formula
C25H25FN4O6
SMILES
C1CN(CC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C(=O)C(CN5C=CC=C5)O
InChI
InChI=1S/C25H25FN4O6/c26-21-13-18(30-14-19(36-25(30)33)16-34-23-7-12-35-27-23)3-4-20(21)17-5-10-29(11-6-17)24(32)22(31)15-28-8-1-2-9-28/h1-5,7-9,12-13,19,22,31H,6,10-11,14-16H2/t19-,22?/m1/s1
InChIKey
RPCFOFIJWQERJB-LCQOSCCDSA-N
Compound name
(5R)-3-[3-fluoro-4-[1-(2-hydroxy-3-pyrrol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.1758 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.18308 208.5
[M+Na]+ 519.16502 213.0
[M-H]- 495.16852 219.3
[M+NH4]+ 514.20962 210.7
[M+K]+ 535.13896 211.3
[M+H-H2O]+ 479.17306 197.9
[M+HCOO]- 541.17400 220.7
[M+CH3COO]- 555.18965 215.6
[M+Na-2H]- 517.15047 200.3
[M]+ 496.17525 210.1
[M]- 496.17635 210.1
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.