CID 6482434

Chembl3827722

Structural Information

Molecular Formula
C36H39N7OSi
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@H](C4=CN(N=C34)CC5=CC=CC=C5)CN6C=NC7=C(N=CN=C76)N
InChI
InChI=1S/C36H39N7OSi/c1-36(2,3)45(29-15-9-5-10-16-29,30-17-11-6-12-18-30)44-23-28-19-27(21-42-25-40-33-34(37)38-24-39-35(33)42)31-22-43(41-32(28)31)20-26-13-7-4-8-14-26/h4-18,22,24-25,27-28H,19-21,23H2,1-3H3,(H2,37,38,39)/t27-,28+/m0/s1
InChIKey
DWBKKPJHIGNXCY-WUFINQPMSA-N
Compound name
9-[[(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

613.2985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.30578 243.0
[M+Na]+ 636.28772 247.7
[M-H]- 612.29122 253.8
[M+NH4]+ 631.33232 243.3
[M+K]+ 652.26166 239.0
[M+H-H2O]+ 596.29576 229.5
[M+HCOO]- 658.29670 253.3
[M+CH3COO]- 672.31235 247.0
[M+Na-2H]- 634.27317 240.4
[M]+ 613.29795 244.7
[M]- 613.29905 244.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.