CID 5275347

5n3-aztmp

Structural Information

Molecular Formula
C9H11N8O7P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)N=[N+]=[N-])COP(=O)(O)O)N=[N+]=[N-]
InChI
InChI=1S/C9H11N8O7P/c10-15-13-4-1-7(24-6(4)3-23-25(20,21)22)17-2-5(14-16-11)8(18)12-9(17)19/h2,4,6-7H,1,3H2,(H,12,18,19)(H2,20,21,22)/t4-,6+,7+/m0/s1
InChIKey
OQIWJZWKSBHJRD-UBKIQSJTSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-azido-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.04883 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05611 168.4
[M+Na]+ 397.03805 172.0
[M-H]- 373.04155 174.5
[M+NH4]+ 392.08265 175.8
[M+K]+ 413.01199 162.1
[M+H-H2O]+ 357.04609 165.4
[M+HCOO]- 419.04703 200.7
[M+CH3COO]- 433.06268 210.7
[M+Na-2H]- 395.02350 182.6
[M]+ 374.04828 163.4
[M]- 374.04938 163.4
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

No patent data available for this compound.