CID 6334639

Phosphazide

Structural Information

Molecular Formula
C10H13N5O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H12N5O6P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(21-8)4-20-22(18)19/h3,6-8H,2,4H2,1H3,(H-,12,16,17,18,19)/p+1/t6-,7+,8+/m0/s1
InChIKey
OIGMNCCZTBRUJH-XLPZGREQSA-O
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

487
Patents

330.06033 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06761 165.8
[M+Na]+ 353.04955 171.6
[M-H]- 329.05305 170.6
[M+NH4]+ 348.09415 175.8
[M+K]+ 369.02349 160.4
[M+H-H2O]+ 313.05759 161.9
[M+HCOO]- 375.05853 194.0
[M+CH3COO]- 389.07418 197.4
[M+Na-2H]- 351.03500 172.9
[M]+ 330.05978 163.3
[M]- 330.06088 163.3
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.