CID 481076

114199-19-8

Structural Information

Molecular Formula
C11H13N5O3
SMILES
CC1=CN2C(=O)C3=C(N=C2N1)N(C=N3)COCCO
InChI
InChI=1S/C11H13N5O3/c1-7-4-16-10(18)8-9(14-11(16)13-7)15(5-12-8)6-19-3-2-17/h4-5,17H,2-3,6H2,1H3,(H,13,14)
InChIKey
IKOQPTHMJTZXDR-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-methyl-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

263.10184 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 157.3
[M+Na]+ 286.09106 170.9
[M-H]- 262.09456 155.9
[M+NH4]+ 281.13566 172.3
[M+K]+ 302.06500 165.9
[M+H-H2O]+ 246.09910 149.4
[M+HCOO]- 308.10004 176.2
[M+CH3COO]- 322.11569 169.3
[M+Na-2H]- 284.07651 162.5
[M]+ 263.10129 163.9
[M]- 263.10239 163.9
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.