CID 159486

Azdump

Structural Information

Molecular Formula
C9H12N5O7P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)N=[N+]=[N-]
InChI
InChI=1S/C9H12N5O7P/c10-13-12-5-3-8(14-2-1-7(15)11-9(14)16)21-6(5)4-20-22(17,18)19/h1-2,5-6,8H,3-4H2,(H,11,15,16)(H2,17,18,19)/t5-,6+,8+/m0/s1
InChIKey
ACTHOXYMGWPIPP-SHYZEUOFSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

333.04742 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.05470 162.9
[M+Na]+ 356.03664 168.4
[M-H]- 332.04014 166.2
[M+NH4]+ 351.08124 172.4
[M+K]+ 372.01058 163.0
[M+H-H2O]+ 316.04468 156.9
[M+HCOO]- 378.04562 190.4
[M+CH3COO]- 392.06127 200.0
[M+Na-2H]- 354.02209 171.0
[M]+ 333.04687 160.8
[M]- 333.04797 160.8
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