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]+ 578.15518 230.0
[M+Na]+ 600.13712 235.8
[M-H]- 576.14062 238.6
[M+NH4]+ 595.18172 227.7
[M+K]+ 616.11106 233.9
[M+H-H2O]+ 560.14516 221.5
[M+HCOO]- 622.14610 239.4
[M+CH3COO]- 636.16175 248.6
[M+Na-2H]- 598.12257 223.5
[M]+ 577.14735 238.6
[M]- 577.14845 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.