CID 6477628

Nsc700836

Structural Information

Molecular Formula
C18H28N2O7Si
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1/C(=C\C(=O)OC)/[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O
InChI
InChI=1S/C18H28N2O7Si/c1-18(2,3)28(5,6)26-10-12-11(9-14(22)25-4)15(23)16(27-12)20-8-7-13(21)19-17(20)24/h7-9,12,15-16,23H,10H2,1-6H3,(H,19,21,24)/b11-9+/t12-,15-,16-/m1/s1
InChIKey
PTJIYYNOAIUMBK-CWCXBNICSA-N
Compound name
methyl (2Z)-2-[(2S,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.16656 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17384 192.9
[M+Na]+ 435.15578 199.4
[M-H]- 411.15928 195.4
[M+NH4]+ 430.20038 200.9
[M+K]+ 451.12972 197.9
[M+H-H2O]+ 395.16382 186.3
[M+HCOO]- 457.16476 204.7
[M+CH3COO]- 471.18041 216.6
[M+Na-2H]- 433.14123 192.6
[M]+ 412.16601 197.0
[M]- 412.16711 197.0
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.