CID 135484744

Nsc706097

Structural Information

Molecular Formula
C30H49N5O8Si2
SMILES
CCOC(=O)C1=CC=C(C=C1)N/N=[N+](/CC2C(C(C(O2)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)\[O-]
InChI
InChI=1S/C30H49N5O8Si2/c1-12-40-27(37)20-13-15-21(16-14-20)32-33-35(39)19-22-24(42-44(8,9)29(2,3)4)25(43-45(10,11)30(5,6)7)26(41-22)34-18-17-23(36)31-28(34)38/h13-18,22,24-26,32H,12,19H2,1-11H3,(H,31,36,38)/b35-33-
InChIKey
HYWQGFGEWCAORZ-OAPYJULQSA-N
Compound name
(Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.31195 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.31923 251.7
[M+Na]+ 686.30117 250.5
[M-H]- 662.30467 259.1
[M+NH4]+ 681.34577 245.5
[M+K]+ 702.27511 247.0
[M+H-H2O]+ 646.30921 246.7
[M+HCOO]- 708.31015 260.4
[M+CH3COO]- 722.32580 265.6
[M+Na-2H]- 684.28662 258.6
[M]+ 663.31140 255.5
[M]- 663.31250 255.5
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.