CID 135484743

Nsc706096

Structural Information

Molecular Formula
C22H32N6O7Si
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)C/[N+](=N/NC3=CC=C(C=C3)[N+](=O)[O-])/[O-])O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C22H32N6O7Si/c1-14-12-26(21(30)23-20(14)29)19-11-17(35-36(5,6)22(2,3)4)18(34-19)13-27(31)25-24-15-7-9-16(10-8-15)28(32)33/h7-10,12,17-19,24H,11,13H2,1-6H3,(H,23,29,30)/b27-25-/t17-,18+,19+/m1/s1
InChIKey
SULWBJMCUJAQCG-OXDRJUNHSA-N
Compound name
(Z)-[(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-nitrophenyl)hydrazinylidene]-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.21014 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.21742 219.1
[M+Na]+ 543.19936 219.6
[M-H]- 519.20286 227.0
[M+NH4]+ 538.24396 220.6
[M+K]+ 559.17330 209.5
[M+H-H2O]+ 503.20740 217.5
[M+HCOO]- 565.20834 236.3
[M+CH3COO]- 579.22399 234.4
[M+Na-2H]- 541.18481 228.5
[M]+ 520.20959 216.4
[M]- 520.21069 216.4
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.