CID 462195

Ct3534

Structural Information

Molecular Formula
C26H47N5O3
SMILES
CCCCCCCCC(CNCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
InChI
InChI=1S/C26H47N5O3/c1-4-5-6-7-11-14-17-22(32)20-27-18-15-12-9-8-10-13-16-19-31-25(33)23-24(28-21-29(23)2)30(3)26(31)34/h21-22,27,32H,4-20H2,1-3H3
InChIKey
DRBRUHQAEWNXAL-UHFFFAOYSA-N
Compound name
1-[9-(2-hydroxydecylamino)nonyl]-3,7-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

477.3679 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.37518 224.8
[M+Na]+ 500.35712 229.8
[M-H]- 476.36062 221.7
[M+NH4]+ 495.40172 230.0
[M+K]+ 516.33106 222.8
[M+H-H2O]+ 460.36516 213.8
[M+HCOO]- 522.36610 239.5
[M+CH3COO]- 536.38175 243.4
[M+Na-2H]- 498.34257 221.1
[M]+ 477.36735 235.0
[M]- 477.36845 235.0
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

patents stripe