CID 3054963

71824-57-2

Structural Information

Molecular Formula
C14H21N3O
SMILES
CN(C)CCC(CC=C)(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C14H21N3O/c1-4-8-14(13(15)18,9-11-17(2)3)12-7-5-6-10-16-12/h4-7,10H,1,8-9,11H2,2-3H3,(H2,15,18)
InChIKey
QVQOOWUMTLACSI-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-2-pyridin-2-ylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 160.5
[M+Na]+ 270.15768 164.9
[M-H]- 246.16118 163.0
[M+NH4]+ 265.20228 176.0
[M+K]+ 286.13162 162.9
[M+H-H2O]+ 230.16572 152.7
[M+HCOO]- 292.16666 182.1
[M+CH3COO]- 306.18231 203.1
[M+Na-2H]- 268.14313 164.5
[M]+ 247.16791 160.4
[M]- 247.16901 160.4
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.