CID 3018157

1,4-bis(4-methoxyphenyl)butan-1-one

Structural Information

Molecular Formula
C18H20O3
SMILES
COC1=CC=C(C=C1)CCCC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H20O3/c1-20-16-10-6-14(7-11-16)4-3-5-18(19)15-8-12-17(21-2)13-9-15/h6-13H,3-5H2,1-2H3
InChIKey
HCSVINSPTVVFOA-UHFFFAOYSA-N
Compound name
1,4-bis(4-methoxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.14124 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.148516 166.8
[M+Na]+ 307.130458 173.3
[M-H]- 283.133964 173.2
[M+NH4]+ 302.175063 182.4
[M+K]+ 323.104398 170.2
[M+H-H2O]+ 267.138500 158.6
[M+HCOO]- 329.139441 189.6
[M+CH3COO]- 343.155091 202.4
[M+Na-2H]- 305.115906 170.0
[M]+ 284.14069142 171.0
[M]- 284.14178858 171.0
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

patents stripe