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 190.2
[M+Na]+ 393.20095 199.5
[M-H]- 369.20445 193.8
[M+NH4]+ 388.24555 199.8
[M+K]+ 409.17489 193.3
[M+H-H2O]+ 353.20899 179.3
[M+HCOO]- 415.20993 211.1
[M+CH3COO]- 429.22558 224.6
[M+Na-2H]- 391.18640 193.4
[M]+ 370.21118 195.3
[M]- 370.21228 195.3
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.