CID 101617265

72987-37-2

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 406.2
[M+Na]+ 1310.1043 408.0
[M+NH4]+ 1305.1489 413.2
[M+K]+ 1326.0783 416.0
[M-H]- 1286.1078 392.4
[M+Na-2H]- 1308.0898 396.4
[M]+ 1287.1146 405.6
[M]- 1287.1156 405.6
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.