CID 489859

2-[[(1r,3r,4r)-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-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-6-yl]amino]-2-oxo-acetic acid

Structural Information

Molecular Formula
C27H45N3O11SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)C(=O)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H45N3O11SSi2/c1-16-13-30(24(35)29(8)21(16)32)22-19(40-44(11,12)26(5,6)7)27(18(39-22)14-38-43(9,10)25(2,3)4)17(15-42(36,37)41-27)28-20(31)23(33)34/h13,15,18-19,22H,14H2,1-12H3,(H,28,31)(H,33,34)/t18-,19+,22-,27?/m1/s1
InChIKey
CMZMGBYTWUIHOI-LAPXEEHISA-N
Compound name
2-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

675.2313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.23858 235.5
[M+Na]+ 698.22052 239.4
[M-H]- 674.22402 242.0
[M+NH4]+ 693.26512 239.0
[M+K]+ 714.19446 244.0
[M+H-H2O]+ 658.22856 235.2
[M+HCOO]- 720.22950 238.6
[M+CH3COO]- 734.24515 265.7
[M+Na-2H]- 696.20597 223.7
[M]+ 675.23075 223.2
[M]- 675.23185 223.2
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.