CID 5274653

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]propanoic acid

Structural Information

Molecular Formula
C27H47N3O10SSi2
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)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H47N3O10SSi2/c1-17-15-30(24(34)29(8)21(17)33)22-20(38-42(9,10)25(2,3)4)27(23(37-22)39-43(11,12)26(5,6)7)18(16-41(35,36)40-27)28-14-13-19(31)32/h15-16,20,22-23,28H,13-14H2,1-12H3,(H,31,32)/t20?,22-,23?,27?/m1/s1
InChIKey
VMPUNMMZSLDUCQ-CRFUMZCMSA-N
Compound name
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]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

661.2521 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.25938 236.5
[M+Na]+ 684.24132 240.9
[M-H]- 660.24482 242.9
[M+NH4]+ 679.28592 240.7
[M+K]+ 700.21526 244.3
[M+H-H2O]+ 644.24936 235.5
[M+HCOO]- 706.25030 240.2
[M+CH3COO]- 720.26595 264.4
[M+Na-2H]- 682.22677 242.5
[M]+ 661.25155 250.1
[M]- 661.25265 250.1
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.