CID 122625

1-adfat

Structural Information

Molecular Formula
C10H12FN5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])F
InChI
InChI=1S/C10H12FN5O4/c1-4-2-16(10(19)13-8(4)18)9-6(11)7(14-15-12)5(3-17)20-9/h2,5-7,9,17H,3H2,1H3,(H,13,18,19)/t5-,6+,7-,9-/m1/s1
InChIKey
AVYGFRQPURLSLQ-JVZYCSMKSA-N
Compound name
1-[(2R,3S,4R,5S)-4-azido-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

285.08734 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09462 159.3
[M+Na]+ 308.07656 168.3
[M-H]- 284.08006 164.0
[M+NH4]+ 303.12116 171.9
[M+K]+ 324.05050 160.5
[M+H-H2O]+ 268.08460 154.7
[M+HCOO]- 330.08554 182.9
[M+CH3COO]- 344.10119 197.5
[M+Na-2H]- 306.06201 165.1
[M]+ 285.08679 155.8
[M]- 285.08789 155.8
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