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 147.8
[M+Na]+ 266.05476 158.7
[M-H]- 242.05826 149.3
[M+NH4]+ 261.09936 164.7
[M+K]+ 282.02870 156.8
[M+H-H2O]+ 226.06280 142.0
[M+HCOO]- 288.06374 164.0
[M+CH3COO]- 302.07939 160.2
[M+Na-2H]- 264.04021 151.7
[M]+ 243.06499 148.1
[M]- 243.06609 148.1
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

patents stripe