CID 206724

28557-24-6

Structural Information

Molecular Formula
C11H15N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3CCN(C3=N2)CCO
InChI
InChI=1S/C11H15N5O3/c1-13-8-7(9(18)14(2)11(13)19)16-4-3-15(5-6-17)10(16)12-8/h17H,3-6H2,1-2H3
InChIKey
SQIYIDQXNLBVHX-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1175 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 160.5
[M+Na]+ 288.10672 174.7
[M-H]- 264.11022 160.4
[M+NH4]+ 283.15132 176.5
[M+K]+ 304.08066 170.1
[M+H-H2O]+ 248.11476 153.0
[M+HCOO]- 310.11570 178.1
[M+CH3COO]- 324.13135 172.7
[M+Na-2H]- 286.09217 162.5
[M]+ 265.11695 166.2
[M]- 265.11805 166.2
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.