CID 68281

1,3-di-6-quinolylurea

Structural Information

Molecular Formula

C₁₉H₁₄N₄O

SMILES

C1=CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)N=CC=C4)N=C1

InChI

InChI=1S/C19H14N4O/c24-19(22-15-5-7-17-13(11-15)3-1-9-20-17)23-16-6-8-18-14(12-16)4-2-10-21-18/h1-12H,(H2,22,23,24)

InChIKey

MJNIRKGFUIUCQO-UHFFFAOYSA-N

Compound name

1,3-di(quinolin-6-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 244
Patents: 314.11676 Da
Monoisotopic Mass: 3.2
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]+	315.12404	172.4
[M+Na]+	337.10598	189.2
[M+NH4]+	332.15058	181.1
[M+K]+	353.07992	179.7
[M-H]-	313.10948	178.9
[M+Na-2H]-	335.09143	183.5
[M]+	314.11621	176.8
[M]-	314.11731	176.8

Literature stripe

literature stripe

Patent stripe

patents stripe