CID 6455359

4,6-di(allyloxy)-2-(octadecyloxy)-1,3,5-triazine

Structural Information

Molecular Formula
C27H47N3O3
SMILES
CCCCCCCCCCCCCCCCCCOC1=NC(=NC(=N1)OCC=C)OCC=C
InChI
InChI=1S/C27H47N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-33-27-29-25(31-22-5-2)28-26(30-27)32-23-6-3/h5-6H,2-4,7-24H2,1H3
InChIKey
WTDGRGWMSMBATG-UHFFFAOYSA-N
Compound name
2-octadecoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

461.36176 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.369036 221.9
[M+Na]+ 484.350978 223.6
[M-H]- 460.354484 218.2
[M+NH4]+ 479.395583 226.4
[M+K]+ 500.324918 217.2
[M+H-H2O]+ 444.359020 209.8
[M+HCOO]- 506.359961 237.3
[M+CH3COO]- 520.375611 239.2
[M+Na-2H]- 482.336426 219.5
[M]+ 461.36121142 233.3
[M]- 461.36230858 233.3
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

patents stripe