CID 6482440

[(4r,6s)-4-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-benzyl-5,6-dihydro-4h-cyclopenta[c]pyrazol-6-yl]methanol

Structural Information

Molecular Formula
C23H26N8O
SMILES
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C[C@@H]4C[C@@H](C5=NN(C=C45)CC6=CC=CC=C6)CO
InChI
InChI=1S/C23H26N8O/c24-23-27-21(26-17-6-7-17)20-22(28-23)30(13-25-20)10-15-8-16(12-32)19-18(15)11-31(29-19)9-14-4-2-1-3-5-14/h1-5,11,13,15-17,32H,6-10,12H2,(H3,24,26,27,28)/t15-,16+/m0/s1
InChIKey
VSAHVJJIVVIVGY-JKSUJKDBSA-N
Compound name
[(4R,6S)-4-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-benzyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.22296 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23024 202.9
[M+Na]+ 453.21218 213.5
[M-H]- 429.21568 210.5
[M+NH4]+ 448.25678 206.5
[M+K]+ 469.18612 203.1
[M+H-H2O]+ 413.22022 193.9
[M+HCOO]- 475.22116 220.1
[M+CH3COO]- 489.23681 210.4
[M+Na-2H]- 451.19763 200.8
[M]+ 430.22241 206.5
[M]- 430.22351 206.5
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.