CID 1420755

476481-92-2

Structural Information

Molecular Formula
C19H26N6O2
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CCCC3=CC=CC=C3
InChI
InChI=1S/C19H26N6O2/c1-23(2)13-11-20-18-21-16-15(17(26)22-19(27)24(16)3)25(18)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)(H,22,26,27)
InChIKey
AJCLEBGKYMQVJU-UHFFFAOYSA-N
Compound name
8-[2-(dimethylamino)ethylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

370.21173 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21901 189.1
[M+Na]+ 393.20095 201.9
[M+NH4]+ 388.24555 193.6
[M+K]+ 409.17489 197.3
[M-H]- 369.20445 191.2
[M+Na-2H]- 391.18640 194.7
[M]+ 370.21118 191.2
[M]- 370.21228 191.2
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.