CID 4251206

7-decyl-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C20H33N5O2
SMILES
CCCCCCCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C
InChI
InChI=1S/C20H33N5O2/c1-3-4-5-6-7-8-9-10-15-25-16-17(23(2)20(27)22-18(16)26)21-19(25)24-13-11-12-14-24/h3-15H2,1-2H3,(H,22,26,27)
InChIKey
GJTYXDTYGLKOTF-UHFFFAOYSA-N
Compound name
7-decyl-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.26343 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.27071 195.2
[M+Na]+ 398.25265 203.5
[M-H]- 374.25615 195.2
[M+NH4]+ 393.29725 205.0
[M+K]+ 414.22659 196.6
[M+H-H2O]+ 358.26069 184.7
[M+HCOO]- 420.26163 209.8
[M+CH3COO]- 434.27728 217.6
[M+Na-2H]- 396.23810 191.8
[M]+ 375.26288 199.3
[M]- 375.26398 199.3
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.