CID 3109802

8-dimethylamino-7-hexadecyl-3-methyl-3,7-dihydro-purine-2,6-dione

Structural Information

Molecular Formula
C24H43N5O2
SMILES
CCCCCCCCCCCCCCCCN1C2=C(N=C1N(C)C)N(C(=O)NC2=O)C
InChI
InChI=1S/C24H43N5O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-20-21(25-23(29)27(2)3)28(4)24(31)26-22(20)30/h5-19H2,1-4H3,(H,26,30,31)
InChIKey
ZBPGLPKWAWWDLO-UHFFFAOYSA-N
Compound name
8-(dimethylamino)-7-hexadecyl-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.34167 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.34895 214.1
[M+Na]+ 456.33089 220.8
[M-H]- 432.33439 212.8
[M+NH4]+ 451.37549 222.0
[M+K]+ 472.30483 214.2
[M+H-H2O]+ 416.33893 203.3
[M+HCOO]- 478.33987 230.9
[M+CH3COO]- 492.35552 237.9
[M+Na-2H]- 454.31634 211.6
[M]+ 433.34112 224.1
[M]- 433.34222 224.1
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.