CID 131753101

1-methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene

Structural Information

Molecular Formula
C19H18O3
SMILES
COC1=CC=C(C=C1)C#C/C=C\COC2=CC=C(C=C2)OC
InChI
InChI=1S/C19H18O3/c1-20-17-9-7-16(8-10-17)6-4-3-5-15-22-19-13-11-18(21-2)12-14-19/h3,5,7-14H,15H2,1-2H3/b5-3-
InChIKey
ZWOWJNDTICMQMK-HYXAFXHYSA-N
Compound name
1-methoxy-4-[(Z)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12558 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.132856 171.1
[M+Na]+ 317.114798 181.0
[M-H]- 293.118304 175.2
[M+NH4]+ 312.159403 184.7
[M+K]+ 333.088738 174.1
[M+H-H2O]+ 277.122840 157.2
[M+HCOO]- 339.123781 188.8
[M+CH3COO]- 353.139431 206.9
[M+Na-2H]- 315.100246 173.8
[M]+ 294.12503142 169.3
[M]- 294.12612858 169.3
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.