CID 135446927

1(2h)-pyrimidinepropanaminium, 3-[(6r,8r,9r)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3,6-dihydro-n,n,n,5-tetramethyl-2,6-dioxo-, iodide

Structural Information

Molecular Formula
C30H57N4O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCC[N+](C)(C)C)[C@H]2[C@@H](C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H57N4O8SSi2/c1-21-18-33(27(36)32(25(21)35)16-15-17-34(8,9)10)26-24(41-45(13,14)29(5,6)7)30(22(31)20-43(37,38)42-30)23(40-26)19-39-44(11,12)28(2,3)4/h18,20,23-24,26H,15-17,19,31H2,1-14H3/q+1/t23?,24-,26+,30?/m0/s1
InChIKey
NHTKUVMHNABHMZ-RGQDHQSQSA-N
Compound name
3-[3-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

689.34357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.35085 243.3
[M+Na]+ 712.33279 246.8
[M-H]- 688.33629 251.4
[M+NH4]+ 707.37739 247.5
[M+K]+ 728.30673 244.3
[M+H-H2O]+ 672.34083 243.6
[M+HCOO]- 734.34177 247.7
[M+CH3COO]- 748.35742 268.6
[M+Na-2H]- 710.31824 254.6
[M]+ 689.34302 254.7
[M]- 689.34412 254.7
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.