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 372.6
[M+Na]+ 1128.0101 382.8
[M-H]- 1104.0136 358.4
[M+NH4]+ 1123.0547 384.0
[M+K]+ 1143.9841 388.6
[M+H-H2O]+ 1088.0182 374.7
[M+HCOO]- 1150.0191 369.1
[M+CH3COO]- 1164.0348 365.9
[M+Na-2H]- 1125.9956 347.5
[M]+ 1105.0204 375.1
[M]- 1105.0214 375.1
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.