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

36
Patents

267.09674 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 153.3
[M+Na]+ 290.08596 161.4
[M-H]- 266.08946 159.0
[M+NH4]+ 285.13056 168.2
[M+K]+ 306.05990 154.6
[M+H-H2O]+ 250.09400 150.1
[M+HCOO]- 312.09494 178.1
[M+CH3COO]- 326.11059 191.7
[M+Na-2H]- 288.07141 162.6
[M]+ 267.09619 150.6
[M]- 267.09729 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.