CID 460848

[2-(6-aminopurin-9-yl)phenyl]methanol

Structural Information

Molecular Formula
C12H11N5O
SMILES
C1=CC=C(C(=C1)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H11N5O/c13-11-10-12(15-6-14-11)17(7-16-10)9-4-2-1-3-8(9)5-18/h1-4,6-7,18H,5H2,(H2,13,14,15)
InChIKey
JTESEAMURBBHQA-UHFFFAOYSA-N
Compound name
[2-(6-aminopurin-9-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.09636 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.103636 152.6
[M+Na]+ 264.085578 164.0
[M-H]- 240.089084 154.6
[M+NH4]+ 259.130183 166.6
[M+K]+ 280.059518 158.1
[M+H-H2O]+ 224.093620 143.2
[M+HCOO]- 286.094561 173.4
[M+CH3COO]- 300.110211 164.5
[M+Na-2H]- 262.071026 160.0
[M]+ 241.09581142 153.2
[M]- 241.09690858 153.2
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

No patent data available for this compound.