CID 44146406

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

Structural Information

Molecular Formula
C72H132N6O9
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O/C(=N\COC)/C1=NC(=NC(=N1)/C(=N/COC)/OC(=O)CCCCCCCCCCCCCCCCCCC)/C(=N/COC)/OC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C72H132N6O9/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-64(79)85-70(73-61-82-4)67-76-68(71(74-62-83-5)86-65(80)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)78-69(77-67)72(75-63-84-6)87-66(81)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h7-63H2,1-6H3/b73-70-,74-71-,75-72-
InChIKey
OQASWGFRKKQQMR-IUIWJEDVSA-N
Compound name
[(Z)-C-[4,6-bis[(Z)-C-icosanoyloxy-N-(methoxymethyl)carbonimidoyl]-1,3,5-triazin-2-yl]-N-(methoxymethyl)carbonimidoyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1225.0056 Da
Monoisotopic Mass

28.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1226.0129 381.3
[M+Na]+ 1247.9948 394.4
[M-H]- 1223.9983 376.7
[M+NH4]+ 1243.0394 401.5
[M+K]+ 1263.9688 400.7
[M+H-H2O]+ 1208.0029 385.7
[M+HCOO]- 1270.0038 373.6
[M+CH3COO]- 1284.0195 376.5
[M+Na-2H]- 1245.9803 358.7
[M]+ 1225.0051 387.8
[M]- 1225.0061 387.8
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.