CID 497410

1-(2-fluoro-4-{(5r)-5-[(3-isoxazolyloxy)methyl]-2-oxo-1,3-oxazolidin-3-yl}phenyl)-1h-pyrrole-3-carbonitrile

Structural Information

Molecular Formula
C18H13FN4O4
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=CC(=C3)C#N)F)COC4=NOC=C4
InChI
InChI=1S/C18H13FN4O4/c19-15-7-13(1-2-16(15)22-5-3-12(8-20)9-22)23-10-14(27-18(23)24)11-25-17-4-6-26-21-17/h1-7,9,14H,10-11H2/t14-/m1/s1
InChIKey
GITSGBGHNQOQRL-CQSZACIVSA-N
Compound name
1-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.09207 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09935 173.2
[M+Na]+ 391.08129 184.9
[M-H]- 367.08479 179.8
[M+NH4]+ 386.12589 181.8
[M+K]+ 407.05523 180.4
[M+H-H2O]+ 351.08933 156.2
[M+HCOO]- 413.09027 189.5
[M+CH3COO]- 427.10592 182.9
[M+Na-2H]- 389.06674 170.8
[M]+ 368.09152 171.8
[M]- 368.09262 171.8
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.