CID 3010400

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

Structural Information

Molecular Formula
C10H15FN6O3
SMILES
CC1=CN(C(=O)NC1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])F
InChI
InChI=1S/C10H15FN6O3/c1-4-2-17(10(19)14-8(4)12)9-6(11)7(15-16-13)5(3-18)20-9/h2,5-9,18H,3,12H2,1H3,(H,14,19)/t5-,6-,7-,8?,9-/m1/s1
InChIKey
KWLONLYTZUJYRI-JBXPSPKUSA-N
Compound name
6-amino-3-[(2R,3R,4R,5S)-4-azido-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.11896 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12624 162.4
[M+Na]+ 309.10818 168.6
[M-H]- 285.11168 165.8
[M+NH4]+ 304.15278 174.4
[M+K]+ 325.08212 161.0
[M+H-H2O]+ 269.11622 157.6
[M+HCOO]- 331.11716 183.3
[M+CH3COO]- 345.13281 201.4
[M+Na-2H]- 307.09363 166.0
[M]+ 286.11841 153.9
[M]- 286.11951 153.9
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.