CID 459648

N,n-dipropylquinoline-3-carboxamide

Structural Information

Molecular Formula

C₁₆H₂₀N₂O

SMILES

CCCN(CCC)C(=O)C1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C16H20N2O/c1-3-9-18(10-4-2)16(19)14-11-13-7-5-6-8-15(13)17-12-14/h5-8,11-12H,3-4,9-10H2,1-2H3

InChIKey

GOAQPCBWTXBEHE-UHFFFAOYSA-N

Compound name

N,N-dipropylquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.15756 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.164836	161.4
[M+Na]+	279.146778	167.4
[M-H]-	255.150284	165.2
[M+NH4]+	274.191383	178.3
[M+K]+	295.120718	164.5
[M+H-H2O]+	239.154820	153.0
[M+HCOO]-	301.155761	183.1
[M+CH3COO]-	315.171411	203.2
[M+Na-2H]-	277.132226	166.8
[M]+	256.15701142	163.9
[M]-	256.15810858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe