CID 657237

Fludarabine

Structural Information

Molecular Formula
C10H12FN5O4
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N
InChI
InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1
InChIKey
HBUBKKRHXORPQB-FJFJXFQQSA-N
Compound name
(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3687
References

14632
Patents

285.08734 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09462 160.3
[M+Na]+ 308.07656 171.5
[M-H]- 284.08006 160.1
[M+NH4]+ 303.12116 172.1
[M+K]+ 324.05050 167.8
[M+H-H2O]+ 268.08460 152.1
[M+HCOO]- 330.08554 175.2
[M+CH3COO]- 344.10119 170.9
[M+Na-2H]- 306.06201 160.8
[M]+ 285.08679 159.8
[M]- 285.08789 159.8
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