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

24
Patents

321.194 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.201276 177.5
[M+Na]+ 344.183218 181.7
[M-H]- 320.186724 181.6
[M+NH4]+ 339.227823 190.2
[M+K]+ 360.157158 179.6
[M+H-H2O]+ 304.191260 168.4
[M+HCOO]- 366.192201 194.9
[M+CH3COO]- 380.207851 209.4
[M+Na-2H]- 342.168666 177.3
[M]+ 321.19345142 179.8
[M]- 321.19454858 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