CID 46173038

1431985-92-0

Structural Information

Molecular Formula
C20H20N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(N=CC(=C2)C3=CC(=CC=C3)O)N
InChI
InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)
InChIKey
CJLMANFTWLNAKC-UHFFFAOYSA-N
Compound name
3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

257
Patents

352.1423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 184.5
[M+Na]+ 375.13152 193.3
[M-H]- 351.13502 192.3
[M+NH4]+ 370.17612 195.2
[M+K]+ 391.10546 188.9
[M+H-H2O]+ 335.13956 174.3
[M+HCOO]- 397.14050 206.3
[M+CH3COO]- 411.15615 216.3
[M+Na-2H]- 373.11697 186.5
[M]+ 352.14175 188.0
[M]- 352.14285 188.0
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