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

literature stripe

Patent stripe

patents stripe