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]+ 295.13286 171.1
[M+Na]+ 317.11480 181.0
[M-H]- 293.11830 175.2
[M+NH4]+ 312.15940 184.7
[M+K]+ 333.08874 174.1
[M+H-H2O]+ 277.12284 157.2
[M+HCOO]- 339.12378 188.8
[M+CH3COO]- 353.13943 206.9
[M+Na-2H]- 315.10025 173.8
[M]+ 294.12503 169.3
[M]- 294.12613 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.