CID 135437125

2-(2,4-dihydroxyphenyl)-4,6-diphenyl-1,3,5-triazine

Structural Information

Molecular Formula
C21H15N3O2
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=CC=CC=C4
InChI
InChI=1S/C21H15N3O2/c25-16-11-12-17(18(26)13-16)21-23-19(14-7-3-1-4-8-14)22-20(24-21)15-9-5-2-6-10-15/h1-13,25-26H
InChIKey
YCNFNXPUWNPXMG-UHFFFAOYSA-N
Compound name
4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

594
Patents

341.11642 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12370 182.7
[M+Na]+ 364.10564 191.2
[M-H]- 340.10914 189.2
[M+NH4]+ 359.15024 189.6
[M+K]+ 380.07958 183.0
[M+H-H2O]+ 324.11368 170.4
[M+HCOO]- 386.11462 200.0
[M+CH3COO]- 400.13027 191.8
[M+Na-2H]- 362.09109 188.1
[M]+ 341.11587 180.6
[M]- 341.11697 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe