CID 11492538

4-amino-1-[(2r,5s)-4-azido-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C9H10N6O3
SMILES
C1=CN(C(=O)N=C1N)[C@H]2C=C([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H10N6O3/c10-7-1-2-15(9(17)12-7)8-3-5(13-14-11)6(4-16)18-8/h1-3,6,8,16H,4H2,(H2,10,12,17)/t6-,8-/m1/s1
InChIKey
AHRIYWFNNSSJPE-HTRCEHHLSA-N
Compound name
4-amino-1-[(2R,5S)-4-azido-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.08144 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08872 150.6
[M+Na]+ 273.07066 158.6
[M-H]- 249.07416 157.3
[M+NH4]+ 268.11526 164.4
[M+K]+ 289.04460 152.0
[M+H-H2O]+ 233.07870 145.9
[M+HCOO]- 295.07964 178.6
[M+CH3COO]- 309.09529 194.5
[M+Na-2H]- 271.05611 159.7
[M]+ 250.08089 147.9
[M]- 250.08199 147.9
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.