CID 490454

Chembl136921

Structural Information

Molecular Formula
C16H15N5O3
SMILES
C1=CC=C(C=C1)C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO
InChI
InChI=1S/C16H15N5O3/c22-6-7-24-10-20-9-17-13-14(20)19-16-18-12(8-21(16)15(13)23)11-4-2-1-3-5-11/h1-5,8-9,22H,6-7,10H2,(H,18,19)
InChIKey
HZPVMWKUUDHLAT-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-phenyl-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.1175 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12478 172.8
[M+Na]+ 348.10672 185.3
[M-H]- 324.11022 174.6
[M+NH4]+ 343.15132 184.7
[M+K]+ 364.08066 178.6
[M+H-H2O]+ 308.11476 163.3
[M+HCOO]- 370.11570 191.3
[M+CH3COO]- 384.13135 183.6
[M+Na-2H]- 346.09217 177.6
[M]+ 325.11695 178.5
[M]- 325.11805 178.5
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.