CID 490455

Chembl134765

Structural Information

Molecular Formula
C17H17N5O3
SMILES
CC1=CC=C(C=C1)C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO
InChI
InChI=1S/C17H17N5O3/c1-11-2-4-12(5-3-11)13-8-22-16(24)14-15(20-17(22)19-13)21(9-18-14)10-25-7-6-23/h2-5,8-9,23H,6-7,10H2,1H3,(H,19,20)
InChIKey
SENJHEBPJFKACM-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-(4-methylphenyl)-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.13315 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14043 178.6
[M+Na]+ 362.12237 191.5
[M-H]- 338.12587 180.6
[M+NH4]+ 357.16697 190.2
[M+K]+ 378.09631 184.5
[M+H-H2O]+ 322.13041 169.2
[M+HCOO]- 384.13135 196.7
[M+CH3COO]- 398.14700 189.3
[M+Na-2H]- 360.10782 182.1
[M]+ 339.13260 185.0
[M]- 339.13370 185.0
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.