CID 2987290

8-{[benzyl(methyl)amino]methyl}-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C19H25N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CCOC
InChI
InChI=1S/C19H25N5O3/c1-21(12-14-8-6-5-7-9-14)13-15-20-17-16(24(15)10-11-27-4)18(25)23(3)19(26)22(17)2/h5-9H,10-13H2,1-4H3
InChIKey
HWJHNDCTZXUJBL-UHFFFAOYSA-N
Compound name
8-[[benzyl(methyl)amino]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

371.19574 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20302 190.1
[M+Na]+ 394.18496 201.4
[M-H]- 370.18846 195.3
[M+NH4]+ 389.22956 200.8
[M+K]+ 410.15890 196.6
[M+H-H2O]+ 354.19300 179.2
[M+HCOO]- 416.19394 211.5
[M+CH3COO]- 430.20959 225.2
[M+Na-2H]- 392.17041 192.1
[M]+ 371.19519 199.4
[M]- 371.19629 199.4
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.