CID 15955623

D4t-co-nh-(ch2)2-s-co-d4t

Structural Information

Molecular Formula
C24H27N5O10S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)NCCSC(=O)OC[C@@H]3C=C[C@@H](O3)N4C=C(C(=O)NC4=O)C
InChI
InChI=1S/C24H27N5O10S/c1-13-9-28(21(32)26-19(13)30)17-5-3-15(38-17)11-36-23(34)25-7-8-40-24(35)37-12-16-4-6-18(39-16)29-10-14(2)20(31)27-22(29)33/h3-6,9-10,15-18H,7-8,11-12H2,1-2H3,(H,25,34)(H,26,30,32)(H,27,31,33)/t15-,16-,17+,18+/m0/s1
InChIKey
FSBQFPCXWDOXCS-WNRNVDISSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxycarbonylamino]ethylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

577.1479 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.155176 230.0
[M+Na]+ 600.137118 235.8
[M-H]- 576.140624 238.6
[M+NH4]+ 595.181723 227.7
[M+K]+ 616.111058 233.9
[M+H-H2O]+ 560.145160 221.5
[M+HCOO]- 622.146101 239.4
[M+CH3COO]- 636.161751 248.6
[M+Na-2H]- 598.122566 223.5
[M]+ 577.14735142 238.6
[M]- 577.14844858 238.6
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.