CID 489862

N-[[(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]carbamoyl]benzamide

Structural Information

Molecular Formula
C33H50N4O10SSi2
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)NC(=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C33H50N4O10SSi2/c1-21-18-37(30(41)36(8)27(21)39)28-25(46-50(11,12)32(5,6)7)33(24(45-28)19-44-49(9,10)31(2,3)4)23(20-48(42,43)47-33)34-29(40)35-26(38)22-16-14-13-15-17-22/h13-18,20,24-25,28H,19H2,1-12H3,(H2,34,35,38,40)/t24-,25+,28-,33?/m1/s1
InChIKey
MOPSDZXNUDMGOE-FTTWQIKGSA-N
Compound name
N-[[(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]carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

750.2786 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.28588 231.0
[M+Na]+ 773.26782 240.8
[M-H]- 749.27132 233.3
[M+NH4]+ 768.31242 235.4
[M+K]+ 789.24176 229.3
[M+H-H2O]+ 733.27586 217.6
[M+HCOO]- 795.27680 237.2
[M+CH3COO]- 809.29245 282.9
[M+Na-2H]- 771.25327 246.8
[M]+ 750.27805 251.8
[M]- 750.27915 251.8
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.