CID 5274636

Ethanediamide, n'-[(8r)-8-(3,4-dihydro-3,5-dimethyl-2,4-dioxo-1(2h)-pyrimidinyl)-6,9-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-4-yl]-n,n-dimethyl-

Structural Information

Molecular Formula
C28H48N4O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2C(C3(C(O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)C(=O)N(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H48N4O10SSi2/c1-17-15-32(25(36)31(10)21(17)34)23-19(40-44(11,12)26(2,3)4)28(24(39-23)41-45(13,14)27(5,6)7)18(16-43(37,38)42-28)29-20(33)22(35)30(8)9/h15-16,19,23-24H,1-14H3,(H,29,33)/t19?,23-,24?,28?/m1/s1
InChIKey
YDIZYZNYZBXULI-PKKVURJWSA-N
Compound name
N-[(8R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]-N',N'-dimethyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

688.26294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.27022 238.3
[M+Na]+ 711.25216 242.1
[M-H]- 687.25566 247.3
[M+NH4]+ 706.29676 242.5
[M+K]+ 727.22610 247.7
[M+H-H2O]+ 671.26020 237.6
[M+HCOO]- 733.26114 243.9
[M+CH3COO]- 747.27679 275.2
[M+Na-2H]- 709.23761 230.6
[M]+ 688.26239 232.1
[M]- 688.26349 232.1
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.