CID 461137

[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethyl-2,4-dioxo-pyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl 4-methylbenzenesulfonate

Structural Information

Molecular Formula
C26H37N3O10S2Si
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C3([C@H]([C@@H](O2)N4C=C(C(=O)N(C4=O)C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N
InChI
InChI=1S/C26H37N3O10S2Si/c1-16-9-11-18(12-10-16)41(34,35)36-14-20-26(19(27)15-40(32,33)39-26)21(38-42(7,8)25(3,4)5)23(37-20)29-13-17(2)22(30)28(6)24(29)31/h9-13,15,20-21,23H,14,27H2,1-8H3/t20-,21+,23-,26?/m1/s1
InChIKey
OJFOZTKILKVELV-WTIKXFBWSA-N
Compound name
[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-6-yl]methyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

643.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.17623 237.2
[M+Na]+ 666.15817 244.7
[M-H]- 642.16167 247.5
[M+NH4]+ 661.20277 241.7
[M+K]+ 682.13211 245.6
[M+H-H2O]+ 626.16621 234.5
[M+HCOO]- 688.16715 241.8
[M+CH3COO]- 702.18280 260.3
[M+Na-2H]- 664.14362 242.5
[M]+ 643.16840 250.1
[M]- 643.16950 250.1
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.