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 156.0
[M+Na]+ 276.10672 169.7
[M-H]- 252.11022 156.2
[M+NH4]+ 271.15132 170.9
[M+K]+ 292.08066 165.5
[M+H-H2O]+ 236.11476 148.3
[M+HCOO]- 298.11570 177.2
[M+CH3COO]- 312.13135 197.3
[M+Na-2H]- 274.09217 160.5
[M]+ 253.11695 161.9
[M]- 253.11805 161.9
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.