CID 5270680

114199-20-1

Structural Information

Molecular Formula
C12H15N5O3
SMILES
CC1=CN2C(=O)C3=C(N=C2N1C)N(C=N3)COCCO
InChI
InChI=1S/C12H15N5O3/c1-8-5-17-11(19)9-10(14-12(17)15(8)2)16(6-13-9)7-20-4-3-18/h5-6,18H,3-4,7H2,1-2H3
InChIKey
LAQPSUWVPAAKQD-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-5,6-dimethylimidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1175 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12478 162.3
[M+Na]+ 300.10672 176.8
[M-H]- 276.11022 162.4
[M+NH4]+ 295.15132 177.7
[M+K]+ 316.08066 172.3
[M+H-H2O]+ 260.11476 154.2
[M+HCOO]- 322.11570 182.3
[M+CH3COO]- 336.13135 174.8
[M+Na-2H]- 298.09217 166.6
[M]+ 277.11695 171.4
[M]- 277.11805 171.4
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.