CID 6477528

Nsc685187

Structural Information

Molecular Formula
C23H39N3O5Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](/C(=C/C#N)/[C@@H](O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H39N3O5Si2/c1-22(2,3)32(7,8)29-15-17-19(31-33(9,10)23(4,5)6)16(11-13-24)20(30-17)26-14-12-18(27)25-21(26)28/h11-12,14,17,19-20H,15H2,1-10H3,(H,25,27,28)/b16-11-/t17-,19+,20-/m1/s1
InChIKey
VJTQTLUPVICYOM-CAPNWOALSA-N
Compound name
(2Z)-2-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.24283 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.25011 218.4
[M+Na]+ 516.23205 224.7
[M-H]- 492.23555 220.2
[M+NH4]+ 511.27665 223.5
[M+K]+ 532.20599 222.8
[M+H-H2O]+ 476.24009 204.7
[M+HCOO]- 538.24103 224.2
[M+CH3COO]- 552.25668 240.8
[M+Na-2H]- 514.21750 218.3
[M]+ 493.24228 217.2
[M]- 493.24338 217.2
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

No patent data available for this compound.