CID 455742

Aztdp

Structural Information

Molecular Formula
C10H15N5O10P2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H15N5O10P2/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(24-8)4-23-27(21,22)25-26(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChIKey
QOYVAFWJURKBJG-XLPZGREQSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

197
Patents

427.02942 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.03670 182.8
[M+Na]+ 450.01864 190.4
[M+NH4]+ 445.06324 193.7
[M+K]+ 465.99258 200.6
[M-H]- 426.02214 183.1
[M+Na-2H]- 448.00409 185.0
[M]+ 427.02887 187.0
[M]- 427.02997 187.0
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