CID 11652072

(e)-4-(6-aminopurin-9-yl)-2-phenyl-but-2-en-1-ol

Structural Information

Molecular Formula
C15H15N5O
SMILES
C1=CC=C(C=C1)/C(=C\CN2C=NC3=C(N=CN=C32)N)/CO
InChI
InChI=1S/C15H15N5O/c16-14-13-15(18-9-17-14)20(10-19-13)7-6-12(8-21)11-4-2-1-3-5-11/h1-6,9-10,21H,7-8H2,(H2,16,17,18)/b12-6-
InChIKey
GJTUDXXIIVPCKC-SDQBBNPISA-N
Compound name
(E)-4-(6-aminopurin-9-yl)-2-phenylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.12766 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 164.7
[M+Na]+ 304.11688 173.8
[M-H]- 280.12038 166.0
[M+NH4]+ 299.16148 176.7
[M+K]+ 320.09082 167.3
[M+H-H2O]+ 264.12492 154.6
[M+HCOO]- 326.12586 183.7
[M+CH3COO]- 340.14151 175.0
[M+Na-2H]- 302.10233 170.2
[M]+ 281.12711 164.6
[M]- 281.12821 164.6
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.