CID 135714880

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

Structural Information

Molecular Formula
C21H15N3O6
SMILES
C1=CC(=C(C=C1O)O)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C21H15N3O6/c25-10-1-4-13(16(28)7-10)19-22-20(14-5-2-11(26)8-17(14)29)24-21(23-19)15-6-3-12(27)9-18(15)30/h1-9,25-30H
InChIKey
SGZWJGRZDJCDIM-UHFFFAOYSA-N
Compound name
4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

484
Patents

405.0961 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.10338 197.0
[M+Na]+ 428.08532 206.0
[M-H]- 404.08882 200.2
[M+NH4]+ 423.12992 199.3
[M+K]+ 444.05926 198.8
[M+H-H2O]+ 388.09336 185.8
[M+HCOO]- 450.09430 208.8
[M+CH3COO]- 464.10995 204.0
[M+Na-2H]- 426.07077 198.1
[M]+ 405.09555 195.5
[M]- 405.09665 195.5
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