CID 5274648

Glycine, 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]-, methyl ester

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)NCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H47N3O10SSi2/c1-17-15-30(24(33)29(8)21(17)32)22-20(38-42(10,11)25(2,3)4)27(23(37-22)39-43(12,13)26(5,6)7)18(16-41(34,35)40-27)28-14-19(31)36-9/h15-16,20,22-23,28H,14H2,1-13H3/t20?,22-,23?,27?/m1/s1
InChIKey
ORJHXYITJICMKT-CRFUMZCMSA-N
Compound name
methyl 2-[[(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]acetate
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 236.0
[M+Na]+ 684.24132 241.1
[M-H]- 660.24482 243.8
[M+NH4]+ 679.28592 241.0
[M+K]+ 700.21526 245.1
[M+H-H2O]+ 644.24936 234.8
[M+HCOO]- 706.25030 241.2
[M+CH3COO]- 720.26595 265.5
[M+Na-2H]- 682.22677 242.3
[M]+ 661.25155 251.3
[M]- 661.25265 251.3
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.