CID 481036

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-(dimethylaminomethyl)-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
C21H36N4O7SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CN(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C21H36N4O7SSi/c1-13-10-25(19(27)24(7)17(13)26)18-16(31-34(8,9)20(2,3)4)21(15(30-18)11-23(5)6)14(22)12-33(28,29)32-21/h10,12,15-16,18H,11,22H2,1-9H3/t15-,16+,18-,21?/m1/s1
InChIKey
DPEOOOFZBXVVMG-VVTKKKPISA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[(dimethylamino)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

516.2074 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.21468 210.8
[M+Na]+ 539.19662 219.6
[M-H]- 515.20012 220.4
[M+NH4]+ 534.24122 221.6
[M+K]+ 555.17056 220.9
[M+H-H2O]+ 499.20466 207.7
[M+HCOO]- 561.20560 222.3
[M+CH3COO]- 575.22125 247.2
[M+Na-2H]- 537.18207 212.7
[M]+ 516.20685 221.8
[M]- 516.20795 221.8
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.