CID 135494022

Nsc693106

Structural Information

Molecular Formula
C27H44N6O8Si2
SMILES
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=CC(=O)NC2=O)C/[N+](=N\NC3=CC=C(C=C3)[N+](=O)[O-])/[O-]
InChI
InChI=1S/C27H44N6O8Si2/c1-26(2,3)42(7,8)40-22-20(17-32(36)30-29-18-11-13-19(14-12-18)33(37)38)39-24(31-16-15-21(34)28-25(31)35)23(22)41-43(9,10)27(4,5)6/h11-16,20,22-24,29H,17H2,1-10H3,(H,28,34,35)/b32-30+/t20-,22-,23-,24-/m1/s1
InChIKey
OFCUNFZIYRLWJN-NGXGIQFDSA-N
Compound name
(E)-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(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

636.27594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.28322 240.0
[M+Na]+ 659.26516 255.6
[M-H]- 635.26866 254.5
[M+NH4]+ 654.30976 253.4
[M+K]+ 675.23910 249.4
[M+H-H2O]+ 619.27320 241.0
[M+HCOO]- 681.27414 268.8
[M+CH3COO]- 695.28979 253.0
[M+Na-2H]- 657.25061 230.8
[M]+ 636.27539 235.0
[M]- 636.27649 235.0
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.