CID 497380

Chembl133501

Structural Information

Molecular Formula
C19H17F2N3O5
SMILES
C1CN(CC=C1C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C=O
InChI
InChI=1S/C19H17F2N3O5/c20-15-7-13(8-16(21)18(15)12-1-4-23(11-25)5-2-12)24-9-14(29-19(24)26)10-27-17-3-6-28-22-17/h1,3,6-8,11,14H,2,4-5,9-10H2/t14-/m1/s1
InChIKey
PAKMUOFMBAPGIG-CQSZACIVSA-N
Compound name
4-[2,6-difluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

405.11362 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12090 190.8
[M+Na]+ 428.10284 199.0
[M-H]- 404.10634 199.0
[M+NH4]+ 423.14744 197.8
[M+K]+ 444.07678 196.3
[M+H-H2O]+ 388.11088 179.4
[M+HCOO]- 450.11182 205.1
[M+CH3COO]- 464.12747 200.1
[M+Na-2H]- 426.08829 186.5
[M]+ 405.11307 191.1
[M]- 405.11417 191.1
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.