CID 6477529

Nsc685189

Structural Information

Molecular Formula
C24H41N3O5Si2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](/C(=C/C#N)/[C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H41N3O5Si2/c1-16-14-27(22(29)26-20(16)28)21-19(32-34(10,11)24(5,6)7)17(12-13-25)18(31-21)15-30-33(8,9)23(2,3)4/h12,14,18-19,21H,15H2,1-11H3,(H,26,28,29)/b17-12+/t18-,19-,21-/m1/s1
InChIKey
SQJCSVASMHMSKO-ZKAHZRJFSA-N
Compound name
(2E)-2-[(2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.25848 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.26576 221.4
[M+Na]+ 530.24770 227.9
[M-H]- 506.25120 223.4
[M+NH4]+ 525.29230 226.3
[M+K]+ 546.22164 226.1
[M+H-H2O]+ 490.25574 208.0
[M+HCOO]- 552.25668 226.9
[M+CH3COO]- 566.27233 244.6
[M+Na-2H]- 528.23315 220.4
[M]+ 507.25793 220.9
[M]- 507.25903 220.9
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.