CID 496792

Nsc699331

Structural Information

Molecular Formula
C24H31N3O6Si
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO[Si](C)(C)C(C)(C)C)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C24H31N3O6Si/c1-14-12-26(23(31)25-20(14)28)19-11-17(18(33-19)13-32-34(5,6)24(2,3)4)27-21(29)15-9-7-8-10-16(15)22(27)30/h7-10,12,17-19H,11,13H2,1-6H3,(H,25,28,31)/t17-,18+,19+/m1/s1
InChIKey
QYHXNTRPDUICKI-QYZOEREBSA-N
Compound name
2-[(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.1982 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.20548 216.2
[M+Na]+ 508.18742 224.1
[M-H]- 484.19092 223.6
[M+NH4]+ 503.23202 223.2
[M+K]+ 524.16136 220.8
[M+H-H2O]+ 468.19546 208.9
[M+HCOO]- 530.19640 226.8
[M+CH3COO]- 544.21205 235.8
[M+Na-2H]- 506.17287 213.1
[M]+ 485.19765 220.6
[M]- 485.19875 220.6
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.