CID 3054962

71824-56-1

Structural Information

Molecular Formula
C17H18N2O
SMILES
C=CCC(CC1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N
InChI
InChI=1S/C17H18N2O/c1-2-11-17(16(18)20,15-10-6-7-12-19-15)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2,(H2,18,20)
InChIKey
PICAYDVRQNHNDY-UHFFFAOYSA-N
Compound name
2-benzyl-2-pyridin-2-ylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.149176 163.8
[M+Na]+ 289.131118 169.0
[M-H]- 265.134624 168.0
[M+NH4]+ 284.175723 177.7
[M+K]+ 305.105058 164.0
[M+H-H2O]+ 249.139160 155.3
[M+HCOO]- 311.140101 184.3
[M+CH3COO]- 325.155751 199.4
[M+Na-2H]- 287.116566 169.3
[M]+ 266.14135142 161.6
[M]- 266.14244858 161.6
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.