CID 503875

Azt-p-ribavirin

Structural Information

Molecular Formula
C18H24N9O11P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC[C@H]3[C@@H]([C@@H]([C@H](O3)N4C=NC(=N4)C(=O)N)O)O)N=[N+]=[N-]
InChI
InChI=1S/C18H24N9O11P/c1-7-3-26(18(32)22-16(7)31)11-2-8(23-25-20)9(37-11)4-35-39(33,34)36-5-10-12(28)13(29)17(38-10)27-6-21-15(24-27)14(19)30/h3,6,8-13,17,28-29H,2,4-5H2,1H3,(H2,19,30)(H,33,34)(H,22,31,32)/t8-,9+,10-,11+,12-,13-,17-/m0/s1
InChIKey
DBOYRQBUCXQVSP-BKYKXNLISA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S,3R,4S,5S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

573.1333 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.14058 219.7
[M+Na]+ 596.12252 222.3
[M-H]- 572.12602 214.4
[M+NH4]+ 591.16712 220.8
[M+K]+ 612.09646 225.7
[M+H-H2O]+ 556.13056 206.8
[M+HCOO]- 618.13150 222.6
[M+CH3COO]- 632.14715 249.0
[M+Na-2H]- 594.10797 228.7
[M]+ 573.13275 236.5
[M]- 573.13385 236.5
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

No patent data available for this compound.