CID 3826200

3-methyl-7-(3-methylbutyl)-8-(3-methylpiperidin-1-yl)purine-2,6-dione

Structural Information

Molecular Formula
C17H27N5O2
SMILES
CC1CCCN(C1)C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C
InChI
InChI=1S/C17H27N5O2/c1-11(2)7-9-22-13-14(20(4)17(24)19-15(13)23)18-16(22)21-8-5-6-12(3)10-21/h11-12H,5-10H2,1-4H3,(H,19,23,24)
InChIKey
UOQFUMOXAJNGID-UHFFFAOYSA-N
Compound name
3-methyl-7-(3-methylbutyl)-8-(3-methylpiperidin-1-yl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.21646 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.22374 184.4
[M+Na]+ 356.20568 194.1
[M-H]- 332.20918 184.7
[M+NH4]+ 351.25028 194.2
[M+K]+ 372.17962 187.7
[M+H-H2O]+ 316.21372 174.4
[M+HCOO]- 378.21466 196.7
[M+CH3COO]- 392.23031 211.5
[M+Na-2H]- 354.19113 182.6
[M]+ 333.21591 185.1
[M]- 333.21701 185.1
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.