CID 496905

Nsc706101

Structural Information

Molecular Formula
C18H31N3O6Si
SMILES
CC(C)(C)[Si](C)(C)OC[C@H]1C(C[C@H](O1)N2C=CC(=O)NC2=O)(CC[N+](=C)[O-])O
InChI
InChI=1S/C18H31N3O6Si/c1-17(2,3)28(5,6)26-12-13-18(24,8-10-20(4)25)11-15(27-13)21-9-7-14(22)19-16(21)23/h7,9,13,15,24H,4,8,10-12H2,1-3,5-6H3,(H,19,22,23)/t13-,15-,18?/m0/s1
InChIKey
LIOGELFUYOFHKG-SUAWAIIZSA-N
Compound name
N-[2-[(2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-3-yl]ethyl]methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.1982 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.20548 193.7
[M+Na]+ 436.18742 198.5
[M-H]- 412.19092 196.0
[M+NH4]+ 431.23202 202.7
[M+K]+ 452.16136 192.2
[M+H-H2O]+ 396.19546 192.1
[M+HCOO]- 458.19640 206.7
[M+CH3COO]- 472.21205 210.5
[M+Na-2H]- 434.17287 199.9
[M]+ 413.19765 193.9
[M]- 413.19875 193.9
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.