CID 495803

Nsc668824

Structural Information

Molecular Formula
C27H54IN3O5Si3
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H54IN3O5Si3/c1-25(2,3)37(10,11)33-17-19-20(35-38(12,13)26(4,5)6)21(36-39(14,15)27(7,8)9)23(34-19)31-16-18(28)22(29)30-24(31)32/h16,19-21,23H,17H2,1-15H3,(H2,29,30,32)/t19-,20-,21-,23-/m1/s1
InChIKey
HJZKIBHFMSMROG-YYTDSSBASA-N
Compound name
4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

711.2416 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 712.24888 256.8
[M+Na]+ 734.23082 252.9
[M-H]- 710.23432 253.9
[M+NH4]+ 729.27542 255.9
[M+K]+ 750.20476 259.2
[M+H-H2O]+ 694.23886 246.9
[M+HCOO]- 756.23980 257.1
[M+CH3COO]- 770.25545 264.3
[M+Na-2H]- 732.21627 246.9
[M]+ 711.24105 261.0
[M]- 711.24215 261.0
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.