CID 3074075

155125-61-4

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCC(=O)N(C1CCN(CC1C)CCC=C)C2=CC=CC=C2
InChI
InChI=1S/C19H28N2O/c1-4-6-13-20-14-12-18(16(3)15-20)21(19(22)5-2)17-10-8-7-9-11-17/h4,7-11,16,18H,1,5-6,12-15H2,2-3H3
InChIKey
GSHVJFJRMLMIJR-UHFFFAOYSA-N
Compound name
N-(1-but-3-enyl-3-methylpiperidin-4-yl)-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 176.0
[M+Na]+ 323.20937 178.8
[M-H]- 299.21287 181.0
[M+NH4]+ 318.25397 189.8
[M+K]+ 339.18331 175.3
[M+H-H2O]+ 283.21741 166.6
[M+HCOO]- 345.21835 194.1
[M+CH3COO]- 359.23400 211.8
[M+Na-2H]- 321.19482 175.4
[M]+ 300.21960 173.6
[M]- 300.22070 173.6
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

No patent data available for this compound.