CID 135490907

1440-00-2

Structural Information

Molecular Formula
C22H17N3O5
SMILES
COC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C22H17N3O5/c1-30-15-6-2-12(3-7-15)20-23-21(16-8-4-13(26)10-18(16)28)25-22(24-20)17-9-5-14(27)11-19(17)29/h2-11,26-29H,1H3
InChIKey
JLUNJUVGBLZKPE-UHFFFAOYSA-N
Compound name
4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

403.11682 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.12410 200.2
[M+Na]+ 426.10604 217.4
[M+NH4]+ 421.15064 204.9
[M+K]+ 442.07998 210.8
[M-H]- 402.10954 205.4
[M+Na-2H]- 424.09149 209.8
[M]+ 403.11627 204.2
[M]- 403.11737 204.2
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