CID 6285127

4-(2-(3,4,5-trimethoxyphenyl)vinyl)quinoline

Structural Information

Molecular Formula
C20H19NO3
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C20H19NO3/c1-22-18-12-14(13-19(23-2)20(18)24-3)8-9-15-10-11-21-17-7-5-4-6-16(15)17/h4-13H,1-3H3/b9-8+
InChIKey
PAZAXHPAPRUCGE-CMDGGOBGSA-N
Compound name
4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 176.7
[M+Na]+ 344.12572 185.7
[M-H]- 320.12922 183.1
[M+NH4]+ 339.17032 190.8
[M+K]+ 360.09966 180.8
[M+H-H2O]+ 304.13376 167.0
[M+HCOO]- 366.13470 198.0
[M+CH3COO]- 380.15035 209.6
[M+Na-2H]- 342.11117 181.6
[M]+ 321.13595 181.8
[M]- 321.13705 181.8
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

No patent data available for this compound.