CID 1114064

1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide

Structural Information

Molecular Formula
C14H22N6O2
SMILES
CN1CCN(CC1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C14H22N6O2/c1-16-4-6-19(7-5-16)8-9-20-10-15-12-11(20)13(21)18(3)14(22)17(12)2/h10H,4-9H2,1-3H3
InChIKey
MENYHECIGXKGQJ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.18042 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18770 177.0
[M+Na]+ 329.16964 188.7
[M-H]- 305.17314 177.5
[M+NH4]+ 324.21424 187.2
[M+K]+ 345.14358 182.8
[M+H-H2O]+ 289.17768 166.1
[M+HCOO]- 351.17862 191.2
[M+CH3COO]- 365.19427 186.8
[M+Na-2H]- 327.15509 177.7
[M]+ 306.17987 179.4
[M]- 306.18097 179.4
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

patents stripe