CID 5274651

Benzyl 3-[[(2r)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(3,5-dimethyl-2,4-dioxo-pyrimidin-1-yl)-8,8-dioxo-3,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-yl]amino]propanoate

Structural Information

Molecular Formula
C34H53N3O10SSi2
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)NCCC(=O)OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C34H53N3O10SSi2/c1-23-20-37(31(40)36(8)28(23)39)29-27(45-49(9,10)32(2,3)4)34(30(44-29)46-50(11,12)33(5,6)7)25(22-48(41,42)47-34)35-19-18-26(38)43-21-24-16-14-13-15-17-24/h13-17,20,22,27,29-30,35H,18-19,21H2,1-12H3/t27?,29-,30?,34?/m1/s1
InChIKey
ZERGYFRVYLCBCJ-MMCPHEAPSA-N
Compound name
benzyl 3-[[(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]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

751.299 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 752.30628 260.8
[M+Na]+ 774.28822 263.9
[M-H]- 750.29172 271.1
[M+NH4]+ 769.33282 261.5
[M+K]+ 790.26216 267.6
[M+H-H2O]+ 734.29626 257.1
[M+HCOO]- 796.29720 265.0
[M+CH3COO]- 810.31285 281.0
[M+Na-2H]- 772.27367 265.7
[M]+ 751.29845 275.6
[M]- 751.29955 275.6
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.