CID 6482439

9-[[(4r,6s)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4h-cyclopenta[c]pyrazol-4-yl]methyl]-n6-cyclopropyl-purine-2,6-diamine

Structural Information

Molecular Formula
C39H44N8OSi
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=C(N=C76)N)NC8CC8
InChI
InChI=1S/C39H44N8OSi/c1-39(2,3)49(31-15-9-5-10-16-31,32-17-11-6-12-18-32)48-25-29-21-28(33-24-47(45-34(29)33)22-27-13-7-4-8-14-27)23-46-26-41-35-36(42-30-19-20-30)43-38(40)44-37(35)46/h4-18,24,26,28-30H,19-23,25H2,1-3H3,(H3,40,42,43,44)/t28-,29+/m0/s1
InChIKey
MFEZOILUWSLHAT-URLMMPGGSA-N
Compound name
9-[[(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methyl]-6-N-cyclopropylpurine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

668.34076 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.34804 248.2
[M+Na]+ 691.32998 253.0
[M-H]- 667.33348 260.7
[M+NH4]+ 686.37458 242.5
[M+K]+ 707.30392 243.1
[M+H-H2O]+ 651.33802 237.6
[M+HCOO]- 713.33896 259.7
[M+CH3COO]- 727.35461 251.0
[M+Na-2H]- 689.31543 245.4
[M]+ 668.34021 251.3
[M]- 668.34131 251.3
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.