CID 135484739

Nsc701712

Structural Information

Molecular Formula
C35H59N5O6Si3
SMILES
CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C2N=C(NC3=O)NC(=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C35H59N5O6Si3/c1-33(2,3)47(10,11)43-21-24-26(45-48(12,13)34(4,5)6)27(46-49(14,15)35(7,8)9)31(44-24)40-22-36-25-28(40)37-32(39-30(25)42)38-29(41)23-19-17-16-18-20-23/h16-20,22,24,26-27,31H,21H2,1-15H3,(H2,37,38,39,41,42)
InChIKey
GPIKTWTVNZBUMH-UHFFFAOYSA-N
Compound name
N-[9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-oxo-1H-purin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

729.3773 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 730.38458 270.4
[M+Na]+ 752.36652 270.9
[M-H]- 728.37002 275.9
[M+NH4]+ 747.41112 267.1
[M+K]+ 768.34046 271.5
[M+H-H2O]+ 712.37456 263.2
[M+HCOO]- 774.37550 271.3
[M+CH3COO]- 788.39115 277.9
[M+Na-2H]- 750.35197 273.4
[M]+ 729.37675 278.2
[M]- 729.37785 278.2
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.