CID 5742779

1-[(3r,5s)-5-(azidomethyl)-5-(hydroxymethyl)tetrahydrofuran-3-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@](OC2)(CN=[N+]=[N-])CO
InChI
InChI=1S/C11H15N5O4/c1-7-3-16(10(19)14-9(7)18)8-2-11(6-17,20-4-8)5-13-15-12/h3,8,17H,2,4-6H2,1H3,(H,14,18,19)/t8-,11+/m1/s1
InChIKey
FXJNYCSSPOQANG-KCJUWKMLSA-N
Compound name
1-[(3R,5S)-5-(azidomethyl)-5-(hydroxymethyl)oxolan-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1124 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 157.8
[M+Na]+ 304.10162 165.5
[M-H]- 280.10512 163.3
[M+NH4]+ 299.14622 172.2
[M+K]+ 320.07556 158.5
[M+H-H2O]+ 264.10966 154.4
[M+HCOO]- 326.11060 182.3
[M+CH3COO]- 340.12625 194.8
[M+Na-2H]- 302.08707 166.7
[M]+ 281.11185 155.4
[M]- 281.11295 155.4
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.