CID 453027

2f-methylarabinocytidine

Structural Information

Molecular Formula
C10H13F2N3O3
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)F)F
InChI
InChI=1S/C10H13F2N3O3/c1-4-2-15(10(17)14-8(4)13)9-7(12)6(11)5(3-16)18-9/h2,5-7,9,16H,3H2,1H3,(H2,13,14,17)/t5-,6-,7+,9-/m1/s1
InChIKey
HAFFSVHKXUYWPX-JAGXHNFQSA-N
Compound name
4-amino-1-[(2R,3R,4R,5R)-3,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.0925 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09978 155.2
[M+Na]+ 284.08172 165.8
[M-H]- 260.08522 156.8
[M+NH4]+ 279.12632 169.3
[M+K]+ 300.05566 162.8
[M+H-H2O]+ 244.08976 146.2
[M+HCOO]- 306.09070 172.7
[M+CH3COO]- 320.10635 196.2
[M+Na-2H]- 282.06717 154.9
[M]+ 261.09195 152.7
[M]- 261.09305 152.7
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

No patent data available for this compound.