CID 978639

7-benzyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C20H26N6O2
SMILES
CN1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C20H26N6O2/c1-22-9-11-25(12-10-22)14-16-21-18-17(19(27)24(3)20(28)23(18)2)26(16)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKey
FFEYGYQUKGEVCC-UHFFFAOYSA-N
Compound name
7-benzyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.21173 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21901 195.2
[M+Na]+ 405.20095 211.1
[M+NH4]+ 400.24555 199.9
[M+K]+ 421.17489 205.6
[M-H]- 381.20445 197.8
[M+Na-2H]- 403.18640 201.1
[M]+ 382.21118 198.1
[M]- 382.21228 198.1
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.