CID 209366

Brn 1031043

Structural Information

Molecular Formula
C12H18N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(CCO)N)CC=C
InChI
InChI=1S/C12H18N6O3/c1-4-5-17-8-9(14-11(17)18(13)6-7-19)15(2)12(21)16(3)10(8)20/h4,19H,1,5-7,13H2,2-3H3
InChIKey
LVZHNCNPYSPMAV-UHFFFAOYSA-N
Compound name
8-[amino(2-hydroxyethyl)amino]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14404 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15132 166.9
[M+Na]+ 317.13326 177.7
[M+NH4]+ 312.17786 170.3
[M+K]+ 333.10720 176.1
[M-H]- 293.13676 165.5
[M+Na-2H]- 315.11871 168.8
[M]+ 294.14349 167.5
[M]- 294.14459 167.5
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.