CID 3109799

7-hexadecyl-3-methyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione

Structural Information

Molecular Formula
C26H45N5O3
SMILES
CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C
InChI
InChI=1S/C26H45N5O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31-22-23(29(2)26(33)28-24(22)32)27-25(31)30-18-20-34-21-19-30/h3-21H2,1-2H3,(H,28,32,33)
InChIKey
WNCIAWBFDUTSNB-UHFFFAOYSA-N
Compound name
7-hexadecyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.35223 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.35951 225.4
[M+Na]+ 498.34145 230.0
[M-H]- 474.34495 223.9
[M+NH4]+ 493.38605 227.5
[M+K]+ 514.31539 222.8
[M+H-H2O]+ 458.34949 212.7
[M+HCOO]- 520.35043 234.6
[M+CH3COO]- 534.36608 237.5
[M+Na-2H]- 496.32690 221.1
[M]+ 475.35168 230.8
[M]- 475.35278 230.8
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.