CID 451630

140387-60-6

Structural Information

Molecular Formula
C10H13N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@](O2)(CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O4/c1-6-4-15(9(18)12-8(6)17)7-2-3-10(5-16,19-7)13-14-11/h4,7,16H,2-3,5H2,1H3,(H,12,17,18)/t7-,10+/m0/s1
InChIKey
MIXHWWCIYLMJQR-OIBJUYFYSA-N
Compound name
1-[(2S,5R)-5-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

267.09674 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 153.3
[M+Na]+ 290.085958 161.4
[M-H]- 266.089464 159.0
[M+NH4]+ 285.130563 168.2
[M+K]+ 306.059898 154.6
[M+H-H2O]+ 250.094000 150.1
[M+HCOO]- 312.094941 178.1
[M+CH3COO]- 326.110591 191.7
[M+Na-2H]- 288.071406 162.6
[M]+ 267.09619142 150.6
[M]- 267.09728858 150.6
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