CID 5235608

476481-82-0

Structural Information

Molecular Formula
C17H28N6O2
SMILES
CCCCCN1C2=C(N=C1N3CCN(CC3)CC)N(C(=O)NC2=O)C
InChI
InChI=1S/C17H28N6O2/c1-4-6-7-8-23-13-14(20(3)17(25)19-15(13)24)18-16(23)22-11-9-21(5-2)10-12-22/h4-12H2,1-3H3,(H,19,24,25)
InChIKey
RWEAFOJTGHESFV-UHFFFAOYSA-N
Compound name
8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2274 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23468 190.3
[M+Na]+ 371.21662 200.2
[M-H]- 347.22012 189.1
[M+NH4]+ 366.26122 198.1
[M+K]+ 387.19056 193.0
[M+H-H2O]+ 331.22466 179.3
[M+HCOO]- 393.22560 202.1
[M+CH3COO]- 407.24125 213.6
[M+Na-2H]- 369.20207 189.2
[M]+ 348.22685 191.9
[M]- 348.22795 191.9
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.