CID 3069974

85592-14-9

Structural Information

Molecular Formula
C11H13N5O3
SMILES
CC1=CN2C3=C(N=C2N1CCO)N(C(=O)NC3=O)C
InChI
InChI=1S/C11H13N5O3/c1-6-5-16-7-8(12-10(16)15(6)3-4-17)14(2)11(19)13-9(7)18/h5,17H,3-4H2,1-2H3,(H,13,18,19)
InChIKey
ORILDYLJKFGUJX-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.10184 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 159.0
[M+Na]+ 286.09106 174.7
[M-H]- 262.09456 158.4
[M+NH4]+ 281.13566 174.5
[M+K]+ 302.06500 168.9
[M+H-H2O]+ 246.09910 151.9
[M+HCOO]- 308.10004 178.0
[M+CH3COO]- 322.11569 171.6
[M+Na-2H]- 284.07651 162.5
[M]+ 263.10129 165.7
[M]- 263.10239 165.7
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.