CID 205816

18703-85-0

Structural Information

Molecular Formula
C16H23NO3
SMILES
COC1=CC(=C(C=C1)C(=O)CCN2CCCCC2)OC
InChI
InChI=1S/C16H23NO3/c1-19-13-6-7-14(16(12-13)20-2)15(18)8-11-17-9-4-3-5-10-17/h6-7,12H,3-5,8-11H2,1-2H3
InChIKey
QLFSCACCFBCWJQ-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.0
[M+Na]+ 300.15702 170.3
[M-H]- 276.16052 170.1
[M+NH4]+ 295.20162 180.3
[M+K]+ 316.13096 168.0
[M+H-H2O]+ 260.16506 157.3
[M+HCOO]- 322.16600 183.9
[M+CH3COO]- 336.18165 200.1
[M+Na-2H]- 298.14247 167.4
[M]+ 277.16725 165.7
[M]- 277.16835 165.7
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