CID 396154

Nsc701702

Structural Information

Molecular Formula
C28H44N2O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=S)OC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H44N2O7SSi2/c1-27(2,3)39(7,8)33-18-20-22(37-40(9,10)28(4,5)6)23(36-26(38)34-19-14-12-11-13-15-19)24(35-20)30-17-16-21(31)29-25(30)32/h11-17,20,22-24H,18H2,1-10H3,(H,29,31,32)
InChIKey
QIBPNOAZKGEGSD-UHFFFAOYSA-N
Compound name
1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenoxycarbothioyloxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.2408 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.24808 241.6
[M+Na]+ 631.23002 244.3
[M-H]- 607.23352 247.5
[M+NH4]+ 626.27462 243.0
[M+K]+ 647.20396 243.3
[M+H-H2O]+ 591.23806 233.8
[M+HCOO]- 653.23900 244.7
[M+CH3COO]- 667.25465 251.2
[M+Na-2H]- 629.21547 241.2
[M]+ 608.24025 250.1
[M]- 608.24135 250.1
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.