CID 11190066

1,3,5-benzyloxy-1,3,5-triazinane-2,4,6-trione

Structural Information

Molecular Formula
C24H21N3O6
SMILES
C1=CC=C(C=C1)CON2C(=O)N(C(=O)N(C2=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C24H21N3O6/c28-22-25(31-16-19-10-4-1-5-11-19)23(29)27(33-18-21-14-8-3-9-15-21)24(30)26(22)32-17-20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKey
GRBHFFGNOHWAFH-UHFFFAOYSA-N
Compound name
1,3,5-tris(phenylmethoxy)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
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 205.9
[M+Na]+ 470.13226 214.2
[M-H]- 446.13576 214.8
[M+NH4]+ 465.17686 209.2
[M+K]+ 486.10620 208.5
[M+H-H2O]+ 430.14030 191.2
[M+HCOO]- 492.14124 225.8
[M+CH3COO]- 506.15689 228.6
[M+Na-2H]- 468.11771 209.7
[M]+ 447.14249 211.6
[M]- 447.14359 211.6
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