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

literature stripe

Patent stripe

patents stripe