CID 15695

1785-02-0

Structural Information

Molecular Formula
C21H15N3O3
SMILES
C1=CC=C(C=C1)N2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H
InChIKey
YEACGXMAEGBJSM-UHFFFAOYSA-N
Compound name
1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

378
Patents

357.11133 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11861 185.6
[M+Na]+ 380.10055 196.4
[M-H]- 356.10405 195.1
[M+NH4]+ 375.14515 193.2
[M+K]+ 396.07449 188.8
[M+H-H2O]+ 340.10859 172.4
[M+HCOO]- 402.10953 206.3
[M+CH3COO]- 416.12518 196.1
[M+Na-2H]- 378.08600 190.7
[M]+ 357.11078 186.6
[M]- 357.11188 186.6
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