CID 3003598

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

Structural Information

Molecular Formula
C26H32N6O10
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)NCCCCNC(=O)OC[C@H]3C=C[C@H](O3)N4C=C(C(=O)NC4=O)C
InChI
InChI=1S/C26H32N6O10/c1-15-11-31(23(35)29-21(15)33)19-7-5-17(41-19)13-39-25(37)27-9-3-4-10-28-26(38)40-14-18-6-8-20(42-18)32-12-16(2)22(34)30-24(32)36/h5-8,11-12,17-20H,3-4,9-10,13-14H2,1-2H3,(H,27,37)(H,28,38)(H,29,33,35)(H,30,34,36)/t17-,18+,19+,20-
InChIKey
MJROACISRTXGJU-JVSBHGNQSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl N-[4-[[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxycarbonylamino]butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

588.218 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.22528 232.9
[M+Na]+ 611.20722 236.5
[M-H]- 587.21072 241.2
[M+NH4]+ 606.25182 228.9
[M+K]+ 627.18116 235.3
[M+H-H2O]+ 571.21526 222.0
[M+HCOO]- 633.21620 246.5
[M+CH3COO]- 647.23185 256.8
[M+Na-2H]- 609.19267 235.0
[M]+ 588.21745 239.0
[M]- 588.21855 239.0
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.