CID 135492540

106556-36-9

Structural Information

Molecular Formula
C22H17N3O2
SMILES
COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C22H17N3O2/c1-27-17-12-13-18(19(26)14-17)22-24-20(15-8-4-2-5-9-15)23-21(25-22)16-10-6-3-7-11-16/h2-14,26H,1H3
InChIKey
UUINYPIVWRZHAG-UHFFFAOYSA-N
Compound name
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7812
Patents

355.13208 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 187.3
[M+Na]+ 378.12130 195.8
[M-H]- 354.12480 194.9
[M+NH4]+ 373.16590 194.3
[M+K]+ 394.09524 188.1
[M+H-H2O]+ 338.12934 174.3
[M+HCOO]- 400.13028 205.7
[M+CH3COO]- 414.14593 196.5
[M+Na-2H]- 376.10675 192.5
[M]+ 355.13153 187.1
[M]- 355.13263 187.1
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