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 173.2
[M+Na]+ 329.16964 183.6
[M-H]- 305.17314 174.0
[M+NH4]+ 324.21424 185.9
[M+K]+ 345.14358 179.2
[M+H-H2O]+ 289.17768 164.3
[M+HCOO]- 351.17862 193.7
[M+CH3COO]- 365.19427 214.2
[M+Na-2H]- 327.15509 175.4
[M]+ 306.17987 177.9
[M]- 306.18097 177.9
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.