CID 451854

3'-n3-5-sme-ddu

Structural Information

Molecular Formula
C10H13N5O4S
SMILES
CSC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O4S/c1-20-7-3-15(10(18)12-9(7)17)8-2-5(13-14-11)6(4-16)19-8/h3,5-6,8,16H,2,4H2,1H3,(H,12,17,18)/t5-,6+,8+/m0/s1
InChIKey
XHTFZFSIWJXCSZ-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.06882 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07610 163.6
[M+Na]+ 322.05804 171.5
[M-H]- 298.06154 169.2
[M+NH4]+ 317.10264 176.0
[M+K]+ 338.03198 163.0
[M+H-H2O]+ 282.06608 159.9
[M+HCOO]- 344.06702 183.2
[M+CH3COO]- 358.08267 197.3
[M+Na-2H]- 320.04349 168.1
[M]+ 299.06827 162.3
[M]- 299.06937 162.3
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.