CID 5479194

2',3'-diaz-secoddu

Structural Information

Molecular Formula
C9H12N8O4
SMILES
C1=CN(C(=O)NC1=O)[C@@H](CN=[N+]=[N-])O[C@@H](CN=[N+]=[N-])CO
InChI
InChI=1S/C9H12N8O4/c10-15-12-3-6(5-18)21-8(4-13-16-11)17-2-1-7(19)14-9(17)20/h1-2,6,8,18H,3-5H2,(H,14,19,20)/t6-,8+/m0/s1
InChIKey
YDYZKBOIMJEBJY-POYBYMJQSA-N
Compound name
1-[(1R)-2-azido-1-[(2S)-1-azido-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09814 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10542 156.9
[M+Na]+ 319.08736 161.1
[M-H]- 295.09086 160.7
[M+NH4]+ 314.13196 167.3
[M+K]+ 335.06130 150.4
[M+H-H2O]+ 279.09540 155.7
[M+HCOO]- 341.09634 187.1
[M+CH3COO]- 355.11199 201.8
[M+Na-2H]- 317.07281 169.6
[M]+ 296.09759 152.5
[M]- 296.09869 152.5
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.