CID 3057155

73972-59-5

Structural Information

Molecular Formula
C14H24N6O
SMILES
CN1CCN(CC1)CCN2CN(C3=C(C2=O)N(C=N3)C)C
InChI
InChI=1S/C14H24N6O/c1-16-4-6-19(7-5-16)8-9-20-11-18(3)13-12(14(20)21)17(2)10-15-13/h10H,4-9,11H2,1-3H3
InChIKey
PSVWWXQEQKSRTA-UHFFFAOYSA-N
Compound name
3,7-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.20117 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20845 178.3
[M+Na]+ 315.19039 186.0
[M-H]- 291.19389 177.2
[M+NH4]+ 310.23499 188.5
[M+K]+ 331.16433 181.0
[M+H-H2O]+ 275.19843 166.8
[M+HCOO]- 337.19937 187.9
[M+CH3COO]- 351.21502 186.2
[M+Na-2H]- 313.17584 176.6
[M]+ 292.20062 175.3
[M]- 292.20172 175.3
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.