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]+ 253.133546 158.6
[M+Na]+ 275.115488 165.2
[M-H]- 251.118994 162.5
[M+NH4]+ 270.160093 175.5
[M+K]+ 291.089428 161.2
[M+H-H2O]+ 235.123530 150.4
[M+HCOO]- 297.124471 180.7
[M+CH3COO]- 311.140121 201.6
[M+Na-2H]- 273.100936 164.1
[M]+ 252.12572142 159.8
[M]- 252.12681858 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.