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

9
Patents

447.14304 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.15032 207.1
[M+Na]+ 470.13226 214.5
[M-H]- 446.13576 216.0
[M+NH4]+ 465.17686 210.5
[M+K]+ 486.10620 210.7
[M+H-H2O]+ 430.14030 192.2
[M+HCOO]- 492.14124 226.5
[M+CH3COO]- 506.15689 230.1
[M+Na-2H]- 468.11771 211.1
[M]+ 447.14249 214.8
[M]- 447.14359 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