CID 5278263

6-tert-butyl-3-(2-hydroxyethoxymethyl)-5h-imidazo[1,2-a]purin-9-one

Structural Information

Molecular Formula
C14H19N5O3
SMILES
CC(C)(C)C1=CN2C(=O)C3=C(N=C2N1)N(C=N3)COCCO
InChI
InChI=1S/C14H19N5O3/c1-14(2,3)9-6-19-12(21)10-11(17-13(19)16-9)18(7-15-10)8-22-5-4-20/h6-7,20H,4-5,8H2,1-3H3,(H,16,17)
InChIKey
JHDQNNOPTORNCV-UHFFFAOYSA-N
Compound name
6-tert-butyl-3-(2-hydroxyethoxymethyl)-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1488 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15608 174.6
[M+Na]+ 328.13802 187.2
[M-H]- 304.14152 173.2
[M+NH4]+ 323.18262 188.0
[M+K]+ 344.11196 182.1
[M+H-H2O]+ 288.14606 167.0
[M+HCOO]- 350.14700 190.8
[M+CH3COO]- 364.16265 200.2
[M+Na-2H]- 326.12347 179.1
[M]+ 305.14825 181.5
[M]- 305.14935 181.5
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.