CID 506822

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

Structural Information

Molecular Formula
C13H13N5O
SMILES
C1=CC=C(C(=C1)CCO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C13H13N5O/c14-12-11-13(16-7-15-12)18(8-17-11)10-4-2-1-3-9(10)5-6-19/h1-4,7-8,19H,5-6H2,(H2,14,15,16)
InChIKey
IULPCSDUTBAQJR-UHFFFAOYSA-N
Compound name
2-[2-(6-aminopurin-9-yl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.11201 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11929 157.0
[M+Na]+ 278.10123 167.9
[M-H]- 254.10473 158.8
[M+NH4]+ 273.14583 170.4
[M+K]+ 294.07517 161.8
[M+H-H2O]+ 238.10927 147.3
[M+HCOO]- 300.11021 177.5
[M+CH3COO]- 314.12586 168.5
[M+Na-2H]- 276.08668 163.8
[M]+ 255.11146 157.9
[M]- 255.11256 157.9
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.