CID 5351198

2878-62-8

Structural Information

Molecular Formula
C20H19NO3
SMILES
COC1=CC(=C(C=C1/C=C/C2=CC=NC3=CC=CC=C23)OC)OC
InChI
InChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8+
InChIKey
XPYLMRIXEKTASO-CMDGGOBGSA-N
Compound name
4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
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

literature stripe

Patent stripe

No patent data available for this compound.