CID 199004

3-(alpha,beta-diethyl-p-methoxyphenethyl)pyridine

Structural Information

Molecular Formula
C18H23NO
SMILES
CCC(C1=CC=C(C=C1)OC)C(CC)C2=CN=CC=C2
InChI
InChI=1S/C18H23NO/c1-4-17(14-8-10-16(20-3)11-9-14)18(5-2)15-7-6-12-19-13-15/h6-13,17-18H,4-5H2,1-3H3
InChIKey
XSGHXRWWLUGHFV-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)hexan-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.17798 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.2
[M+Na]+ 292.16720 171.3
[M-H]- 268.17070 170.8
[M+NH4]+ 287.21180 180.9
[M+K]+ 308.14114 167.8
[M+H-H2O]+ 252.17524 157.3
[M+HCOO]- 314.17618 186.1
[M+CH3COO]- 328.19183 201.5
[M+Na-2H]- 290.15265 169.0
[M]+ 269.17743 167.7
[M]- 269.17853 167.7
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