CID 489858

Methyl (n-{8-(3,5-dimethyl-2,4-dioxo(1,3-dihydropyrimidinyl))-3,3-dioxo-9-(1,1,2,2-tetramethyl-1-silapropoxy)-6-[(1,1,2,2-tetramethyl-1-silapropoxy)methyl]-4,7-dioxa-3-thiaspiro[4.4]non-1-enyl}carbamoyl)formate

Structural Information

Molecular Formula
C28H47N3O11SSi2
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)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H47N3O11SSi2/c1-17-14-31(25(35)30(8)22(17)33)23-20(41-45(12,13)27(5,6)7)28(19(40-23)15-39-44(10,11)26(2,3)4)18(16-43(36,37)42-28)29-21(32)24(34)38-9/h14,16,19-20,23H,15H2,1-13H3,(H,29,32)/t19-,20+,23-,28?/m1/s1
InChIKey
IHSFHWYSYUNOGQ-BHAOGJFTSA-N
Compound name
methyl 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-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

689.247 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.25428 238.8
[M+Na]+ 712.23622 243.0
[M-H]- 688.23972 246.5
[M+NH4]+ 707.28082 242.5
[M+K]+ 728.21016 248.0
[M+H-H2O]+ 672.24426 238.2
[M+HCOO]- 734.24520 243.2
[M+CH3COO]- 748.26085 269.4
[M+Na-2H]- 710.22167 225.4
[M]+ 689.24645 254.5
[M]- 689.24755 254.5
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.