CID 170454355

6-[(2s)-3-[4-[2,6-difluoro-4-[(5r)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2h-pyridin-1-yl]-2-hydroxy-3-oxopropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula
C27H29F2N3O13
SMILES
C1CN(CC=C1C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C(=O)[C@H](COC5C(C(C(C(O5)C(=O)O)O)O)O)O
InChI
InChI=1S/C27H29F2N3O13/c28-15-7-13(32-9-14(44-27(32)40)10-41-18-3-6-43-30-18)8-16(29)19(15)12-1-4-31(5-2-12)24(37)17(33)11-42-26-22(36)20(34)21(35)23(45-26)25(38)39/h1,3,6-8,14,17,20-23,26,33-36H,2,4-5,9-11H2,(H,38,39)/t14-,17+,20?,21?,22?,23?,26?/m1/s1
InChIKey
CQDKSXXPVLIJMU-URVWKXNVSA-N
Compound name
6-[(2S)-3-[4-[2,6-difluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

641.1669 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.174176 239.9
[M+Na]+ 664.156118 241.5
[M-H]- 640.159624 235.3
[M+NH4]+ 659.200723 240.1
[M+K]+ 680.130058 240.5
[M+H-H2O]+ 624.164160 227.0
[M+HCOO]- 686.165101 241.7
[M+CH3COO]- 700.180751 245.6
[M+Na-2H]- 662.141566 248.8
[M]+ 641.16635142 248.4
[M]- 641.16744858 248.4
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.