CID 106496

68072-52-6

Structural Information

Molecular Formula
C66H132N6O6
SMILES
CCCCCCCCCCCCCCCCCCOCN(COC)C1=NC(=NC(=N1)N(COC)COCCCCCCCCCCCCCCCCCC)N(COC)COCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C66H132N6O6/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-76-61-70(58-73-4)64-67-65(71(59-74-5)62-77-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)69-66(68-64)72(60-75-6)63-78-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h7-63H2,1-6H3
InChIKey
XADFCWWZSYBFEE-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-tris(methoxymethyl)-2-N,4-N,6-N-tris(octadecoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1105.0209 Da
Monoisotopic Mass

27.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1106.0282 376.1
[M+Na]+ 1128.0101 378.8
[M+NH4]+ 1123.0547 379.8
[M+K]+ 1143.9841 383.9
[M-H]- 1104.0136 358.3
[M+Na-2H]- 1125.9956 367.0
[M]+ 1105.0204 373.7
[M]- 1105.0214 373.7
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.