CID 3010605

[(2r,3r,5s)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl n-[4-[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxycarbonylamino]butyl]carbamate

Structural Information

Molecular Formula
C26H34N12O10
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)NCCCCNC(=O)OC[C@H]3[C@@H](C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C26H34N12O10/c1-13-9-37(23(41)31-21(13)39)19-7-15(33-35-27)17(47-19)11-45-25(43)29-5-3-4-6-30-26(44)46-12-18-16(34-36-28)8-20(48-18)38-10-14(2)22(40)32-24(38)42/h9-10,15-20H,3-8,11-12H2,1-2H3,(H,29,43)(H,30,44)(H,31,39,41)(H,32,40,42)/t15-,16+,17+,18-,19+,20-
InChIKey
ZTPDTVGXTQGDGR-UIQSMRFCSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-[4-[[(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxycarbonylamino]butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

674.2521 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.25938 246.0
[M+Na]+ 697.24132 247.1
[M-H]- 673.24482 243.2
[M+NH4]+ 692.28592 249.0
[M+K]+ 713.21526 250.3
[M+H-H2O]+ 657.24936 234.8
[M+HCOO]- 719.25030 250.0
[M+CH3COO]- 733.26595 273.3
[M+Na-2H]- 695.22677 278.5
[M]+ 674.25155 287.0
[M]- 674.25265 287.0
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

No patent data available for this compound.