CID 5274650

Benzyl 2-[[(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]acetate

Structural Information

Molecular Formula
C33H51N3O10SSi2
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)OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C33H51N3O10SSi2/c1-22-19-36(30(39)35(8)27(22)38)28-26(44-48(9,10)31(2,3)4)33(29(43-28)45-49(11,12)32(5,6)7)24(21-47(40,41)46-33)34-18-25(37)42-20-23-16-14-13-15-17-23/h13-17,19,21,26,28-29,34H,18,20H2,1-12H3/t26?,28-,29?,33?/m1/s1
InChIKey
WUFLLHBVNZXDQL-JNEHAPANSA-N
Compound name
benzyl 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

737.2834 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.29068 257.0
[M+Na]+ 760.27262 260.6
[M-H]- 736.27612 267.5
[M+NH4]+ 755.31722 258.3
[M+K]+ 776.24656 264.4
[M+H-H2O]+ 720.28066 253.4
[M+HCOO]- 782.28160 261.5
[M+CH3COO]- 796.29725 278.4
[M+Na-2H]- 758.25807 262.3
[M]+ 737.28285 271.6
[M]- 737.28395 271.6
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.