CID 15973

2,4,6-triphenoxy-1,3,5-triazine

Structural Information

Molecular Formula
C21H15N3O3
SMILES
C1=CC=C(C=C1)OC2=NC(=NC(=N2)OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C21H15N3O3/c1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h1-15H
InChIKey
IYDYVVVAQKFGBS-UHFFFAOYSA-N
Compound name
2,4,6-triphenoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

533
Patents

357.11133 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11861 184.1
[M+Na]+ 380.10055 191.3
[M-H]- 356.10405 192.3
[M+NH4]+ 375.14515 190.9
[M+K]+ 396.07449 185.3
[M+H-H2O]+ 340.10859 170.3
[M+HCOO]- 402.10953 204.3
[M+CH3COO]- 416.12518 193.5
[M+Na-2H]- 378.08600 191.8
[M]+ 357.11078 185.7
[M]- 357.11188 185.7
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