CID 135714880

2125-23-7

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

469
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 200.2
[M+Na]+ 428.08532 216.5
[M+NH4]+ 423.12992 203.9
[M+K]+ 444.05926 211.4
[M-H]- 404.08882 204.2
[M+Na-2H]- 426.07077 208.2
[M]+ 405.09555 203.6
[M]- 405.09665 203.6
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