CID 135410302

Schembl1737336

Structural Information

Molecular Formula
C11H13FN4O4
SMILES
C1=CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C11H13FN4O4/c12-6-7(18)5(3-17)20-10(6)16-2-1-4-8(16)14-11(13)15-9(4)19/h1-2,5-7,10,17-18H,3H2,(H3,13,14,15,19)/t5-,6+,7-,10-/m1/s1
InChIKey
FCSHJXURYVHCCP-JTGULSINSA-N
Compound name
2-amino-7-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

284.09207 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09935 159.6
[M+Na]+ 307.08129 170.7
[M-H]- 283.08479 160.5
[M+NH4]+ 302.12589 172.9
[M+K]+ 323.05523 166.4
[M+H-H2O]+ 267.08933 152.1
[M+HCOO]- 329.09027 175.8
[M+CH3COO]- 343.10592 170.6
[M+Na-2H]- 305.06674 159.9
[M]+ 284.09152 158.3
[M]- 284.09262 158.3
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.