CID 453640

B.-4'azmed4t

Structural Information

Molecular Formula
C11H13N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=CC(O2)(CN=[N+]=[N-])CO
InChI
InChI=1S/C11H13N5O4/c1-7-4-16(10(19)14-9(7)18)8-2-3-11(6-17,20-8)5-13-15-12/h2-4,8,17H,5-6H2,1H3,(H,14,18,19)/t8-,11?/m1/s1
InChIKey
ZYCDUPYEUUMKSM-RZZZFEHKSA-N
Compound name
1-[(2R)-5-(azidomethyl)-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.09674 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10402 156.6
[M+Na]+ 302.08596 165.3
[M-H]- 278.08946 162.6
[M+NH4]+ 297.13056 171.2
[M+K]+ 318.05990 158.1
[M+H-H2O]+ 262.09400 153.2
[M+HCOO]- 324.09494 182.6
[M+CH3COO]- 338.11059 194.4
[M+Na-2H]- 300.07141 166.4
[M]+ 279.09619 155.6
[M]- 279.09729 155.6
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.