CID 741825

313273-98-2

Structural Information

Molecular Formula
C15H21N5O2
SMILES
CC(=C)CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C
InChI
InChI=1S/C15H21N5O2/c1-10(2)9-20-11-12(18(3)15(22)17-13(11)21)16-14(20)19-7-5-4-6-8-19/h1,4-9H2,2-3H3,(H,17,21,22)
InChIKey
YLQHYFKMLRLFDQ-UHFFFAOYSA-N
Compound name
3-methyl-7-(2-methylprop-2-enyl)-8-piperidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16953 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17681 174.2
[M+Na]+ 326.15875 184.1
[M-H]- 302.16225 174.5
[M+NH4]+ 321.20335 184.8
[M+K]+ 342.13269 177.6
[M+H-H2O]+ 286.16679 164.2
[M+HCOO]- 348.16773 187.4
[M+CH3COO]- 362.18338 183.5
[M+Na-2H]- 324.14420 174.2
[M]+ 303.16898 173.1
[M]- 303.17008 173.1
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.