CID 3156037

1,3-dimethyl-7-((2-methylpiperidin-1-yl)methyl)-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C14H21N5O2
SMILES
CC1CCCCN1CN2C=NC3=C2C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C14H21N5O2/c1-10-6-4-5-7-18(10)9-19-8-15-12-11(19)13(20)17(3)14(21)16(12)2/h8,10H,4-7,9H2,1-3H3
InChIKey
YLQFFWXTQNFLAA-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16953 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.176806 171.2
[M+Na]+ 314.158748 183.0
[M-H]- 290.162254 173.2
[M+NH4]+ 309.203353 183.5
[M+K]+ 330.132688 177.5
[M+H-H2O]+ 274.166790 161.1
[M+HCOO]- 336.167731 186.9
[M+CH3COO]- 350.183381 181.9
[M+Na-2H]- 312.144196 172.3
[M]+ 291.16898142 173.2
[M]- 291.17007858 173.2
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.