CID 474925

Azt-ddc

Structural Information

Molecular Formula
C19H25N8O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC[C@@H]3CC[C@@H](O3)N4C=CC(=NC4=O)N)N=[N+]=[N-]
InChI
InChI=1S/C19H25N8O9P/c1-10-7-27(19(30)23-17(10)28)16-6-12(24-25-21)13(36-16)9-34-37(31,32)33-8-11-2-3-15(35-11)26-5-4-14(20)22-18(26)29/h4-5,7,11-13,15-16H,2-3,6,8-9H2,1H3,(H,31,32)(H2,20,22,29)(H,23,28,30)/t11-,12-,13+,15+,16+/m0/s1
InChIKey
JZBVBZBPDXKIJJ-QZPUYBJASA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.1482 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.15548 214.6
[M+Na]+ 563.13742 216.2
[M-H]- 539.14092 223.7
[M+NH4]+ 558.18202 212.6
[M+K]+ 579.11136 211.5
[M+H-H2O]+ 523.14546 205.7
[M+HCOO]- 585.14640 236.7
[M+CH3COO]- 599.16205 246.2
[M+Na-2H]- 561.12287 232.3
[M]+ 540.14765 237.5
[M]- 540.14875 237.5
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.