CID 5274635

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]-

Structural Information

Molecular Formula
C26H44N4O10SSi2
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)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H44N4O10SSi2/c1-15-13-30(23(34)29(8)20(15)33)21-17(38-42(9,10)24(2,3)4)26(22(37-21)39-43(11,12)25(5,6)7)16(14-41(35,36)40-26)28-19(32)18(27)31/h13-14,17,21-22H,1-12H3,(H2,27,31)(H,28,32)/t17?,21-,22?,26?/m1/s1
InChIKey
KBIXYUKGKRGWSQ-YLYRRJFUSA-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]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

660.2317 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.23898 211.7
[M+Na]+ 683.22092 220.0
[M-H]- 659.22442 212.6
[M+NH4]+ 678.26552 215.3
[M+K]+ 699.19486 243.2
[M+H-H2O]+ 643.22896 233.8
[M+HCOO]- 705.22990 217.5
[M+CH3COO]- 719.24555 267.7
[M+Na-2H]- 681.20637 227.2
[M]+ 660.23115 227.7
[M]- 660.23225 227.7
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.