CID 215347

35535-30-9

Structural Information

Molecular Formula
C18H27NO4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCCC2)OC
InChI
InChI=1S/C18H27NO4/c1-21-14-12-16(22-2)18(17(13-14)23-3)15(20)8-7-11-19-9-5-4-6-10-19/h12-13H,4-11H2,1-3H3
InChIKey
BDISRJBXVRWBSH-UHFFFAOYSA-N
Compound name
4-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

321.194 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20128 177.5
[M+Na]+ 344.18322 181.7
[M-H]- 320.18672 181.6
[M+NH4]+ 339.22782 190.2
[M+K]+ 360.15716 179.6
[M+H-H2O]+ 304.19126 168.4
[M+HCOO]- 366.19220 194.9
[M+CH3COO]- 380.20785 209.4
[M+Na-2H]- 342.16867 177.3
[M]+ 321.19345 179.8
[M]- 321.19455 179.8
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