CID 9899801

2-phenyl-2-[(7h-purin-6-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C13H13N5O
SMILES
C1=CC=C(C=C1)C(CO)NC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C13H13N5O/c19-6-10(9-4-2-1-3-5-9)18-13-11-12(15-7-14-11)16-8-17-13/h1-5,7-8,10,19H,6H2,(H2,14,15,16,17,18)
InChIKey
HVLWZOSYRXDKLY-UHFFFAOYSA-N
Compound name
2-phenyl-2-(7H-purin-6-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

255.11201 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11929 154.5
[M+Na]+ 278.10123 162.7
[M-H]- 254.10473 154.8
[M+NH4]+ 273.14583 166.7
[M+K]+ 294.07517 156.7
[M+H-H2O]+ 238.10927 144.7
[M+HCOO]- 300.11021 173.1
[M+CH3COO]- 314.12586 164.8
[M+Na-2H]- 276.08668 162.6
[M]+ 255.11146 153.2
[M]- 255.11256 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

No literature data available for this compound.

Patent stripe

patents stripe