CID 3003599

[(2r,5s)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-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
C26H33N9O10
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)NCCCCNC(=O)OC[C@H]3C=C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-]
InChI
InChI=1S/C26H33N9O10/c1-14-10-34(23(38)30-21(14)36)19-6-5-16(44-19)12-42-25(40)28-7-3-4-8-29-26(41)43-13-18-17(32-33-27)9-20(45-18)35-11-15(2)22(37)31-24(35)39/h5-6,10-11,16-20H,3-4,7-9,12-13H2,1-2H3,(H,28,40)(H,29,41)(H,30,36,38)(H,31,37,39)/t16-,17+,18-,19+,20-/m1/s1
InChIKey
QDUUWMCKMSTEAM-UJMXGEILSA-N
Compound name
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl N-[4-[[(2S,3S,5R)-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

631.23505 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.24233 237.3
[M+Na]+ 654.22427 239.5
[M-H]- 630.22777 232.9
[M+NH4]+ 649.26887 239.0
[M+K]+ 670.19821 239.5
[M+H-H2O]+ 614.23231 223.7
[M+HCOO]- 676.23325 240.4
[M+CH3COO]- 690.24890 266.2
[M+Na-2H]- 652.20972 257.4
[M]+ 631.23450 265.4
[M]- 631.23560 265.4
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.