CID 4324871

2',5'-dimethoxyoctadecanophenone

Structural Information

Molecular Formula
C26H44O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C26H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)24-22-23(28-2)20-21-26(24)29-3/h20-22H,4-19H2,1-3H3
InChIKey
QKEKNFSRPLZSHY-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)octadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

404.32904 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.33632 209.5
[M+Na]+ 427.31826 211.2
[M-H]- 403.32176 210.4
[M+NH4]+ 422.36286 220.6
[M+K]+ 443.29220 206.7
[M+H-H2O]+ 387.32630 200.5
[M+HCOO]- 449.32724 228.0
[M+CH3COO]- 463.34289 230.3
[M+Na-2H]- 425.30371 205.8
[M]+ 404.32849 219.3
[M]- 404.32959 219.3
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

patents stripe