CID 493438

2-furanmethanol, 5-[6-(cycloheptylamino)-9h-purin-9-yl]tetrahydro-

Structural Information

Molecular Formula
C17H25N5O2
SMILES
C1CCCC(CC1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C17H25N5O2/c23-9-13-7-8-14(24-13)22-11-20-15-16(18-10-19-17(15)22)21-12-5-3-1-2-4-6-12/h10-14,23H,1-9H2,(H,18,19,21)/t13-,14+/m0/s1
InChIKey
TWDCLAZBPHXKMH-UONOGXRCSA-N
Compound name
[(2S,5R)-5-[6-(cycloheptylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.20084 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20812 177.4
[M+Na]+ 354.19006 181.8
[M-H]- 330.19356 183.2
[M+NH4]+ 349.23466 186.9
[M+K]+ 370.16400 181.0
[M+H-H2O]+ 314.19810 165.4
[M+HCOO]- 376.19904 191.1
[M+CH3COO]- 390.21469 185.5
[M+Na-2H]- 352.17551 177.1
[M]+ 331.20029 171.1
[M]- 331.20139 171.1
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.