CID 495804

Nsc668825

Structural Information

Molecular Formula
C27H55N3O5Si3
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H55N3O5Si3/c1-25(2,3)36(10,11)32-18-19-21(34-37(12,13)26(4,5)6)22(35-38(14,15)27(7,8)9)23(33-19)30-17-16-20(28)29-24(30)31/h16-17,19,21-23H,18H2,1-15H3,(H2,28,29,31)/t19-,21-,22-,23-/m1/s1
InChIKey
STPFNZPGQPDBNI-JMJGKCIBSA-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]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

585.345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.35228 236.1
[M+Na]+ 608.33422 238.4
[M-H]- 584.33772 239.8
[M+NH4]+ 603.37882 239.8
[M+K]+ 624.30816 239.5
[M+H-H2O]+ 568.34226 229.9
[M+HCOO]- 630.34320 241.1
[M+CH3COO]- 644.35885 256.8
[M+Na-2H]- 606.31967 239.3
[M]+ 585.34445 243.2
[M]- 585.34555 243.2
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

patents stripe