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]+ 301.227426 176.0
[M+Na]+ 323.209368 178.8
[M-H]- 299.212874 181.0
[M+NH4]+ 318.253973 189.8
[M+K]+ 339.183308 175.3
[M+H-H2O]+ 283.217410 166.6
[M+HCOO]- 345.218351 194.1
[M+CH3COO]- 359.234001 211.8
[M+Na-2H]- 321.194816 175.4
[M]+ 300.21960142 173.6
[M]- 300.22069858 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.