CID 451381

Azt-dhp (*quaternary salt*)

Structural Information

Molecular Formula
C17H19N6O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=C[N+](=CC=C3)C)N=[N+]=[N-]
InChI
InChI=1S/C17H18N6O5/c1-10-7-23(17(26)19-15(10)24)14-6-12(20-21-18)13(28-14)9-27-16(25)11-4-3-5-22(2)8-11/h3-5,7-8,12-14H,6,9H2,1-2H3/p+1/t12-,13+,14+/m0/s1
InChIKey
SYNPPQUWZKSCKW-BFHYXJOUSA-O
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

387.1417 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.14898 191.9
[M+Na]+ 410.13092 198.0
[M-H]- 386.13442 200.7
[M+NH4]+ 405.17552 198.3
[M+K]+ 426.10486 184.4
[M+H-H2O]+ 370.13896 187.5
[M+HCOO]- 432.13990 213.9
[M+CH3COO]- 446.15555 211.6
[M+Na-2H]- 408.11637 199.3
[M]+ 387.14115 189.7
[M]- 387.14225 189.7
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.