CID 459646

N,n-diallylquinoline-3-carboxamide

Structural Information

Molecular Formula
C16H16N2O
SMILES
C=CCN(CC=C)C(=O)C1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C16H16N2O/c1-3-9-18(10-4-2)16(19)14-11-13-7-5-6-8-15(13)17-12-14/h3-8,11-12H,1-2,9-10H2
InChIKey
CWRPDBYRIQBVKC-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-enyl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 158.6
[M+Na]+ 275.11549 165.2
[M-H]- 251.11899 162.5
[M+NH4]+ 270.16009 175.5
[M+K]+ 291.08943 161.2
[M+H-H2O]+ 235.12353 150.4
[M+HCOO]- 297.12447 180.7
[M+CH3COO]- 311.14012 201.6
[M+Na-2H]- 273.10094 164.1
[M]+ 252.12572 159.8
[M]- 252.12682 159.8
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.