CID 71430

Cyclo fc

Structural Information

Molecular Formula
C9H10FN3O4
SMILES
C1=C(C(=N)N=C2N1[C@H]3C(O2)[C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C9H10FN3O4/c10-3-1-13-8-6(5(15)4(2-14)16-8)17-9(13)12-7(3)11/h1,4-6,8,11,14-15H,2H2/t4-,5-,6?,8-/m1/s1
InChIKey
PAYBYKKERMGTSS-XTSMLKGCSA-N
Compound name
(2R,4R,5R)-11-fluoro-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

243.06554 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07282 150.5
[M+Na]+ 266.05476 159.3
[M+NH4]+ 261.09936 156.0
[M+K]+ 282.02870 160.6
[M-H]- 242.05826 150.6
[M+Na-2H]- 264.04021 149.1
[M]+ 243.06499 151.2
[M]- 243.06609 151.2
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.