CID 490457

Chembl337648

Structural Information

Molecular Formula
C17H17N5O4
SMILES
COC1=CC=CC(=C1)C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO
InChI
InChI=1S/C17H17N5O4/c1-25-12-4-2-3-11(7-12)13-8-22-16(24)14-15(20-17(22)19-13)21(9-18-14)10-26-6-5-23/h2-4,7-9,23H,5-6,10H2,1H3,(H,19,20)
InChIKey
IDJQASFXDMGHGV-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-(3-methoxyphenyl)-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.12805 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13533 180.6
[M+Na]+ 378.11727 193.1
[M-H]- 354.12077 182.7
[M+NH4]+ 373.16187 191.4
[M+K]+ 394.09121 186.9
[M+H-H2O]+ 338.12531 171.1
[M+HCOO]- 400.12625 198.8
[M+CH3COO]- 414.14190 191.1
[M+Na-2H]- 376.10272 184.3
[M]+ 355.12750 188.3
[M]- 355.12860 188.3
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.