CID 199633

4623-21-6

Structural Information

Molecular Formula
C24H21N3O6
SMILES
COC1=CC=C(C=C1)N2C(=O)N(C(=O)N(C2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H21N3O6/c1-31-19-10-4-16(5-11-19)25-22(28)26(17-6-12-20(32-2)13-7-17)24(30)27(23(25)29)18-8-14-21(33-3)15-9-18/h4-15H,1-3H3
InChIKey
HGUXHAYZQPYABT-UHFFFAOYSA-N
Compound name
1,3,5-tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

447.14304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.15032 207.9
[M+Na]+ 470.13226 218.9
[M-H]- 446.13576 218.1
[M+NH4]+ 465.17686 212.2
[M+K]+ 486.10620 213.6
[M+H-H2O]+ 430.14030 193.8
[M+HCOO]- 492.14124 227.8
[M+CH3COO]- 506.15689 232.6
[M+Na-2H]- 468.11771 209.4
[M]+ 447.14249 215.1
[M]- 447.14359 215.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe