CID 1089305

585556-05-4

Structural Information

Molecular Formula
C19H24N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H24N6O3/c1-22-17-16(18(26)23(2)19(22)27)20-15(21-17)12-24-8-10-25(11-9-24)13-4-6-14(28-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKey
WILVAFPPCXBQGR-UHFFFAOYSA-N
Compound name
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.19098 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19826 194.4
[M+Na]+ 407.18020 209.5
[M+NH4]+ 402.22480 198.4
[M+K]+ 423.15414 205.1
[M-H]- 383.18370 196.1
[M+Na-2H]- 405.16565 199.6
[M]+ 384.19043 196.8
[M]- 384.19153 196.8
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.