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]+ 248.175736 160.5
[M+Na]+ 270.157678 164.9
[M-H]- 246.161184 163.0
[M+NH4]+ 265.202283 176.0
[M+K]+ 286.131618 162.9
[M+H-H2O]+ 230.165720 152.7
[M+HCOO]- 292.166661 182.1
[M+CH3COO]- 306.182311 203.1
[M+Na-2H]- 268.143126 164.5
[M]+ 247.16791142 160.4
[M]- 247.16900858 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.