CID 9413

314-92-1

Structural Information

Molecular Formula
C20H27N5O3
SMILES
CCN(CC)CCN1C2=C(N=C1C(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C20H27N5O3/c1-5-24(6-2)12-13-25-15-17(22(3)20(28)23(4)19(15)27)21-18(25)16(26)14-10-8-7-9-11-14/h7-11,16,26H,5-6,12-13H2,1-4H3
InChIKey
PVEXGFAUDDOGQA-UHFFFAOYSA-N
Compound name
7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2114 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21868 193.2
[M+Na]+ 408.20062 206.6
[M+NH4]+ 403.24522 197.4
[M+K]+ 424.17456 202.9
[M-H]- 384.20412 194.5
[M+Na-2H]- 406.18607 197.8
[M]+ 385.21085 195.3
[M]- 385.21195 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.