CID 6477627

Nsc699325

Structural Information

Molecular Formula
C28H53N3O6Si2
SMILES
CCCCCC/C=[N+](/CC1C(C(C(O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)\[O-]
InChI
InChI=1S/C28H53N3O6Si2/c1-12-13-14-15-16-18-30(34)20-21-23(36-38(8,9)27(2,3)4)24(37-39(10,11)28(5,6)7)25(35-21)31-19-17-22(32)29-26(31)33/h17-19,21,23-25H,12-16,20H2,1-11H3,(H,29,32,33)/b30-18-
InChIKey
SYXSWHKGKRVSGC-YKQZZPSBSA-N
Compound name
N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]heptan-1-imine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.3473 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.35458 242.5
[M+Na]+ 606.33652 243.5
[M-H]- 582.34002 231.1
[M+NH4]+ 601.38112 236.6
[M+K]+ 622.31046 237.2
[M+H-H2O]+ 566.34456 239.7
[M+HCOO]- 628.34550 255.0
[M+CH3COO]- 642.36115 246.6
[M+Na-2H]- 604.32197 246.0
[M]+ 583.34675 228.8
[M]- 583.34785 228.8
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.