CID 497407

Schembl7082764

Structural Information

Molecular Formula
C19H21FN4O6
SMILES
COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F
InChI
InChI=1S/C19H21FN4O6/c1-27-18(25)23-7-5-22(6-8-23)16-3-2-13(10-15(16)20)24-11-14(30-19(24)26)12-28-17-4-9-29-21-17/h2-4,9-10,14H,5-8,11-12H2,1H3/t14-/m1/s1
InChIKey
XEIYPTXLUYLZFH-CQSZACIVSA-N
Compound name
methyl 4-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

420.1445 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15178 194.7
[M+Na]+ 443.13372 200.3
[M-H]- 419.13722 202.4
[M+NH4]+ 438.17832 199.3
[M+K]+ 459.10766 199.4
[M+H-H2O]+ 403.14176 183.3
[M+HCOO]- 465.14270 206.4
[M+CH3COO]- 479.15835 221.6
[M+Na-2H]- 441.11917 189.6
[M]+ 420.14395 195.2
[M]- 420.14505 195.2
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.