CID 22910836

P,p',p''-(1,3,5-triazine-2,4,6-triyltris(oxy))triphenol

Structural Information

Molecular Formula
C21H15N3O6
SMILES
C1=CC(=CC=C1O)OC2=NC(=NC(=N2)OC3=CC=C(C=C3)O)OC4=CC=C(C=C4)O
InChI
InChI=1S/C21H15N3O6/c25-13-1-7-16(8-2-13)28-19-22-20(29-17-9-3-14(26)4-10-17)24-21(23-19)30-18-11-5-15(27)6-12-18/h1-12,25-27H
InChIKey
RSWDPDMLJAHCHI-UHFFFAOYSA-N
Compound name
4-[[4,6-bis(4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

405.0961 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.103376 193.2
[M+Na]+ 428.085318 200.8
[M-H]- 404.088824 198.9
[M+NH4]+ 423.129923 196.5
[M+K]+ 444.059258 195.3
[M+H-H2O]+ 388.093360 180.3
[M+HCOO]- 450.094301 209.5
[M+CH3COO]- 464.109951 201.2
[M+Na-2H]- 426.070766 197.9
[M]+ 405.09555142 195.1
[M]- 405.09664858 195.1
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