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]+ 267.14918 163.8
[M+Na]+ 289.13112 169.0
[M-H]- 265.13462 168.0
[M+NH4]+ 284.17572 177.7
[M+K]+ 305.10506 164.0
[M+H-H2O]+ 249.13916 155.3
[M+HCOO]- 311.14010 184.3
[M+CH3COO]- 325.15575 199.4
[M+Na-2H]- 287.11657 169.3
[M]+ 266.14135 161.6
[M]- 266.14245 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.