CID 3152869

476480-22-5

Structural Information

Molecular Formula
C20H28N6O2
SMILES
CCN(CC)CCNC1=NC2=C(N1C(C)C3=CC=CC=C3)C(=O)NC(=O)N2C
InChI
InChI=1S/C20H28N6O2/c1-5-25(6-2)13-12-21-19-22-17-16(18(27)23-20(28)24(17)4)26(19)14(3)15-10-8-7-9-11-15/h7-11,14H,5-6,12-13H2,1-4H3,(H,21,22)(H,23,27,28)
InChIKey
ZQVKBJZEOXFPOG-UHFFFAOYSA-N
Compound name
8-[2-(diethylamino)ethylamino]-3-methyl-7-(1-phenylethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2274 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23468 192.9
[M+Na]+ 407.21662 205.1
[M+NH4]+ 402.26122 197.1
[M+K]+ 423.19056 201.1
[M-H]- 383.22012 194.8
[M+Na-2H]- 405.20207 198.0
[M]+ 384.22685 194.9
[M]- 384.22795 194.9
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.