CID 11415328

Furfuryl tetrahydropyranyladenine

Structural Information

Molecular Formula
C15H17N5O2
SMILES
C1CCOC(C1)N2C=NC3=C(N=CN=C32)NCC4=CC=CO4
InChI
InChI=1S/C15H17N5O2/c1-2-6-22-12(5-1)20-10-19-13-14(17-9-18-15(13)20)16-8-11-4-3-7-21-11/h3-4,7,9-10,12H,1-2,5-6,8H2,(H,16,17,18)
InChIKey
VUEOUOLENQRIDI-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

299.1382 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.145476 164.6
[M+Na]+ 322.127418 172.3
[M-H]- 298.130924 171.4
[M+NH4]+ 317.172023 175.3
[M+K]+ 338.101358 169.9
[M+H-H2O]+ 282.135460 154.2
[M+HCOO]- 344.136401 182.6
[M+CH3COO]- 358.152051 175.4
[M+Na-2H]- 320.112866 169.0
[M]+ 299.13765142 165.2
[M]- 299.13874858 165.2
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

patents stripe