CID 4094680

2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine

Structural Information

Molecular Formula
C24H21N3O6
SMILES
COC1=CC=CC=C1OC2=NC(=NC(=N2)OC3=CC=CC=C3OC)OC4=CC=CC=C4OC
InChI
InChI=1S/C24H21N3O6/c1-28-16-10-4-7-13-19(16)31-22-25-23(32-20-14-8-5-11-17(20)29-2)27-24(26-22)33-21-15-9-6-12-18(21)30-3/h4-15H,1-3H3
InChIKey
VWYNRKLJUNWLRL-UHFFFAOYSA-N
Compound name
2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

447.14304 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.150316 207.1
[M+Na]+ 470.132258 214.5
[M-H]- 446.135764 216.0
[M+NH4]+ 465.176863 210.5
[M+K]+ 486.106198 210.7
[M+H-H2O]+ 430.140300 192.2
[M+HCOO]- 492.141241 226.5
[M+CH3COO]- 506.156891 230.1
[M+Na-2H]- 468.117706 211.1
[M]+ 447.14249142 214.8
[M]- 447.14358858 214.8
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

patents stripe