CID 3010401

2(1h)-pyrimidinone, 4-amino-1-(3-azido-2,3-dideoxy-2-fluoro-alpha-d-ribofuranosyl)-3,4-dihydro-5-methyl-

Structural Information

Molecular Formula
C10H13FN6O3
SMILES
CC1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])F
InChI
InChI=1S/C10H13FN6O3/c1-4-2-17(10(19)14-8(4)12)9-6(11)7(15-16-13)5(3-18)20-9/h2,5-7,9,18H,3H2,1H3,(H2,12,14,19)/t5-,6-,7-,9+/m1/s1
InChIKey
FPKRJICSWQFDIA-PULFBKJNSA-N
Compound name
4-amino-1-[(2S,3R,4R,5S)-4-azido-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1033 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11058 160.5
[M+Na]+ 307.09252 169.0
[M-H]- 283.09602 166.0
[M+NH4]+ 302.13712 173.4
[M+K]+ 323.06646 161.8
[M+H-H2O]+ 267.10056 155.3
[M+HCOO]- 329.10150 185.6
[M+CH3COO]- 343.11715 203.1
[M+Na-2H]- 305.07797 166.2
[M]+ 284.10275 156.5
[M]- 284.10385 156.5
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.