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 197.2
[M+Na]+ 407.18020 207.9
[M-H]- 383.18370 199.8
[M+NH4]+ 402.22480 202.9
[M+K]+ 423.15414 200.1
[M+H-H2O]+ 367.18824 185.0
[M+HCOO]- 429.18918 209.5
[M+CH3COO]- 443.20483 205.1
[M+Na-2H]- 405.16565 196.6
[M]+ 384.19043 198.5
[M]- 384.19153 198.5
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.