CID 5388065

134029-62-2

Structural Information

Molecular Formula
C18H20O4
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5+
InChIKey
GGFQQRXTLIJXNY-AATRIKPKSA-N
Compound name
1,2,3-trimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

157
Patents

300.13617 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 169.0
[M+Na]+ 323.12539 177.6
[M-H]- 299.12889 176.2
[M+NH4]+ 318.16999 184.7
[M+K]+ 339.09933 174.7
[M+H-H2O]+ 283.13343 160.9
[M+HCOO]- 345.13437 193.0
[M+CH3COO]- 359.15002 205.4
[M+Na-2H]- 321.11084 172.1
[M]+ 300.13562 176.0
[M]- 300.13672 176.0
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