CID 468104

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

Structural Information

Molecular Formula
C24H41N5O7SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CN4CCN(CC4)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H41N5O7SSi/c1-16-13-29(22(31)27(6)20(16)30)21-19(35-38(7,8)23(2,3)4)24(17(25)15-37(32,33)36-24)18(34-21)14-28-11-9-26(5)10-12-28/h13,15,18-19,21H,9-12,14,25H2,1-8H3/t18-,19+,21-,24?/m1/s1
InChIKey
VDFRYEVEHPJBAC-FVYFYLNTSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methylpiperazin-1-yl)methyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.2496 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.25688 227.9
[M+Na]+ 594.23882 235.5
[M-H]- 570.24232 236.2
[M+NH4]+ 589.28342 233.0
[M+K]+ 610.21276 235.1
[M+H-H2O]+ 554.24686 223.0
[M+HCOO]- 616.24780 231.8
[M+CH3COO]- 630.26345 252.0
[M+Na-2H]- 592.22427 225.8
[M]+ 571.24905 234.3
[M]- 571.25015 234.3
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.