CID 11805

Tribenzyl isocyanurate

Structural Information

Molecular Formula
C24H21N3O3
SMILES
C1=CC=C(C=C1)CN2C(=O)N(C(=O)N(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H21N3O3/c28-22-25(16-19-10-4-1-5-11-19)23(29)27(18-21-14-8-3-9-15-21)24(30)26(22)17-20-12-6-2-7-13-20/h1-15H,16-18H2
InChIKey
PIBKGXNSYQOGKL-UHFFFAOYSA-N
Compound name
1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

399.1583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 198.7
[M+Na]+ 422.14752 208.0
[M-H]- 398.15102 207.5
[M+NH4]+ 417.19212 204.4
[M+K]+ 438.12146 199.8
[M+H-H2O]+ 382.15556 184.7
[M+HCOO]- 444.15650 218.3
[M+CH3COO]- 458.17215 207.7
[M+Na-2H]- 420.13297 202.1
[M]+ 399.15775 200.4
[M]- 399.15885 200.4
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