CID 3794582

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

Structural Information

Molecular Formula
C18H30N6O2
SMILES
CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C
InChI
InChI=1S/C18H30N6O2/c1-5-6-7-8-24-14(13-23-11-9-20(2)10-12-23)19-16-15(24)17(25)22(4)18(26)21(16)3/h5-13H2,1-4H3
InChIKey
JQVGWNDJQCWNDX-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-pentylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

362.243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25028 194.8
[M+Na]+ 385.23222 205.6
[M-H]- 361.23572 195.1
[M+NH4]+ 380.27682 203.0
[M+K]+ 401.20616 198.8
[M+H-H2O]+ 345.24026 183.5
[M+HCOO]- 407.24120 207.6
[M+CH3COO]- 421.25685 220.0
[M+Na-2H]- 383.21767 192.8
[M]+ 362.24245 198.9
[M]- 362.24355 198.9
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.