CID 472590

172293-43-5

Structural Information

Molecular Formula
C10H14N5O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CP(=O)(O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H14N5O6P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(21-8)4-22(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChIKey
SWJKFVWWOVUSMN-XLPZGREQSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

331.06818 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07546 166.9
[M+Na]+ 354.05740 173.2
[M-H]- 330.06090 170.4
[M+NH4]+ 349.10200 176.9
[M+K]+ 370.03134 166.9
[M+H-H2O]+ 314.06544 161.2
[M+HCOO]- 376.06638 193.9
[M+CH3COO]- 390.08203 201.9
[M+Na-2H]- 352.04285 173.3
[M]+ 331.06763 164.2
[M]- 331.06873 164.2
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