CID 477292

Ua596

Structural Information

Molecular Formula
C24H37N2O9PS2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C
InChI
InChI=1S/C24H37N2O9PS2/c1-16-14-26(22(30)25-19(16)27)18-9-8-17(35-18)15-34-36(31,32-10-12-37-20(28)23(2,3)4)33-11-13-38-21(29)24(5,6)7/h8-9,14,17-18H,10-13,15H2,1-7H3,(H,25,27,30)/t17-,18+/m0/s1
InChIKey
OVUWFTHPWIHVPA-ZWKOTPCHSA-N
Compound name
S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

592.1678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.17508 232.6
[M+Na]+ 615.15702 234.1
[M-H]- 591.16052 233.8
[M+NH4]+ 610.20162 233.9
[M+K]+ 631.13096 233.2
[M+H-H2O]+ 575.16506 223.2
[M+HCOO]- 637.16600 240.0
[M+CH3COO]- 651.18165 248.7
[M+Na-2H]- 613.14247 230.1
[M]+ 592.16725 244.2
[M]- 592.16835 244.2
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.