CID 1081553

476481-89-7

Structural Information

Molecular Formula
C20H28N6O2
SMILES
CCN(CC)CCNC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)NC(=O)N2C
InChI
InChI=1S/C20H28N6O2/c1-5-25(6-2)12-11-21-19-22-17-16(18(27)23-20(28)24(17)4)26(19)13-15-10-8-7-9-14(15)3/h7-10H,5-6,11-13H2,1-4H3,(H,21,22)(H,23,27,28)
InChIKey
HYFVCVJEVQGJMZ-UHFFFAOYSA-N
Compound name
8-[2-(diethylamino)ethylamino]-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2274 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23468 194.3
[M+Na]+ 407.21662 207.2
[M+NH4]+ 402.26122 198.6
[M+K]+ 423.19056 202.5
[M-H]- 383.22012 196.5
[M+Na-2H]- 405.20207 199.3
[M]+ 384.22685 196.5
[M]- 384.22795 196.5
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.