CID 101617265

N2,n4-bis((docosanoyloxy)methyl)-n6-((eicosanoyloxy)methyl)tris(methoxymethyl)melamine

Structural Information

Molecular Formula
C76H146N6O9
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCN(COC)C1=NC(=NC(=N1)N(COC)COC(=O)CCCCCCCCCCCCCCCCCCC)N(COC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C76H146N6O9/c1-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-60-63-72(84)90-69-81(66-87-5)75-77-74(80(65-86-4)68-89-71(83)62-59-56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-3)78-76(79-75)82(67-88-6)70-91-73(85)64-61-58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-2/h7-70H2,1-6H3
InChIKey
YFBJOPICPWOXGG-UHFFFAOYSA-N
Compound name
[[4-[docosanoyloxymethyl(methoxymethyl)amino]-6-[icosanoyloxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methyl docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1287.1151 Da
Monoisotopic Mass

31.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1288.1224 395.2
[M+Na]+ 1310.1043 405.7
[M-H]- 1286.1078 386.4
[M+NH4]+ 1305.1489 414.6
[M+K]+ 1326.0783 415.3
[M+H-H2O]+ 1270.1124 399.2
[M+HCOO]- 1332.1133 383.5
[M+CH3COO]- 1346.1290 387.0
[M+Na-2H]- 1308.0898 370.2
[M]+ 1287.1146 404.0
[M]- 1287.1156 404.0
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

No patent data available for this compound.