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

492
Patents

341.11642 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.123696 182.7
[M+Na]+ 364.105638 191.2
[M-H]- 340.109144 189.2
[M+NH4]+ 359.150243 189.6
[M+K]+ 380.079578 183.0
[M+H-H2O]+ 324.113680 170.4
[M+HCOO]- 386.114621 200.0
[M+CH3COO]- 400.130271 191.8
[M+Na-2H]- 362.091086 188.1
[M]+ 341.11587142 180.6
[M]- 341.11696858 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