CID 3013093

[(2r,5r)-2-(6-aminopurin-9-yl)-3-methyl-5-phenyl-2h-furan-5-yl]methanol

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CC1=C[C@](O[C@H]1N2C=NC3=C(N=CN=C32)N)(CO)C4=CC=CC=C4
InChI
InChI=1S/C17H17N5O2/c1-11-7-17(8-23,12-5-3-2-4-6-12)24-16(11)22-10-21-13-14(18)19-9-20-15(13)22/h2-7,9-10,16,23H,8H2,1H3,(H2,18,19,20)/t16-,17+/m1/s1
InChIKey
PLGNMNNWTKBPCX-SJORKVTESA-N
Compound name
[(2R,5R)-2-(6-aminopurin-9-yl)-3-methyl-5-phenyl-2H-furan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.1382 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 172.7
[M+Na]+ 346.12742 183.9
[M-H]- 322.13092 179.2
[M+NH4]+ 341.17202 185.7
[M+K]+ 362.10136 178.9
[M+H-H2O]+ 306.13546 163.0
[M+HCOO]- 368.13640 192.0
[M+CH3COO]- 382.15205 184.0
[M+Na-2H]- 344.11287 176.4
[M]+ 323.13765 174.9
[M]- 323.13875 174.9
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.