CID 700109

370584-93-3

Structural Information

Molecular Formula
C14H22N6O2
SMILES
CC(=C)CN1C2=C(N=C1NCCN(C)C)N(C(=O)NC2=O)C
InChI
InChI=1S/C14H22N6O2/c1-9(2)8-20-10-11(19(5)14(22)17-12(10)21)16-13(20)15-6-7-18(3)4/h1,6-8H2,2-5H3,(H,15,16)(H,17,21,22)
InChIKey
GTSHSSIJAUIEBY-UHFFFAOYSA-N
Compound name
8-[2-(dimethylamino)ethylamino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.18042 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18770 171.6
[M+Na]+ 329.16964 182.0
[M+NH4]+ 324.21424 175.3
[M+K]+ 345.14358 179.8
[M-H]- 305.17314 170.5
[M+Na-2H]- 327.15509 173.8
[M]+ 306.17987 172.2
[M]- 306.18097 172.2
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.