CID 163358784

Mindeudesivir

Structural Information

Molecular Formula
C24H31N5O7
SMILES
[2H]C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)C#N)N
InChI
InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1/i7D
InChIKey
RVSSLHFYCSUAHY-QXMJNOOVSA-N
Compound name
[(2R,3R,4R,5R)-5-(4-amino-5-deuteriopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

64
Patents

502.22864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.23592 209.6
[M+Na]+ 525.21786 215.2
[M+NH4]+ 520.26246 208.5
[M+K]+ 541.19180 213.7
[M-H]- 501.22136 201.2
[M+Na-2H]- 523.20331 206.5
[M]+ 502.22809 206.7
[M]- 502.22919 206.7
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.