CID 22780

6320-10-1

Structural Information

Molecular Formula
C10H15N5O3
SMILES
CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C10H15N5O3/c1-13-6-7(12-9(13)11-4-5-16)14(2)10(18)15(3)8(6)17/h16H,4-5H2,1-3H3,(H,11,12)
InChIKey
AWJFREKYPJBFBG-UHFFFAOYSA-N
Compound name
8-(2-hydroxyethylamino)-1,3,7-trimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

253.1175 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12478 156.4
[M+Na]+ 276.10672 169.0
[M+NH4]+ 271.15132 160.9
[M+K]+ 292.08066 166.7
[M-H]- 252.11022 154.9
[M+Na-2H]- 274.09217 159.3
[M]+ 253.11695 157.4
[M]- 253.11805 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.