CID 495805

Nsc668827

Structural Information

Molecular Formula
C27H53IN2O6Si3
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H53IN2O6Si3/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)30-16-18(28)22(31)29-24(30)32/h16,19-21,23H,17H2,1-15H3,(H,29,31,32)/t19-,20-,21-,23-/m1/s1
InChIKey
JEVRXFJEOXKKDH-YYTDSSBASA-N
Compound name
1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

712.2256 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 713.23288 251.2
[M+Na]+ 735.21482 247.8
[M-H]- 711.21832 247.6
[M+NH4]+ 730.25942 250.2
[M+K]+ 751.18876 253.8
[M+H-H2O]+ 695.22286 242.1
[M+HCOO]- 757.22380 250.3
[M+CH3COO]- 771.23945 259.1
[M+Na-2H]- 733.20027 242.1
[M]+ 712.22505 256.1
[M]- 712.22615 256.1
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.