CID 2308931

3-phenyl-1-(quinolin-3-yl)urea

Structural Information

Molecular Formula

C₁₆H₁₃N₃O

SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C16H13N3O/c20-16(18-13-7-2-1-3-8-13)19-14-10-12-6-4-5-9-15(12)17-11-14/h1-11H,(H2,18,19,20)

InChIKey

YWUOOPNIQOUJHJ-UHFFFAOYSA-N

Compound name

1-phenyl-3-quinolin-3-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 263.10587 Da
Monoisotopic Mass: 3.3
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]+	264.11315	159.9
[M+Na]+	286.09509	174.3
[M+NH4]+	281.13969	168.7
[M+K]+	302.06903	165.9
[M-H]-	262.09859	165.9
[M+Na-2H]-	284.08054	170.3
[M]+	263.10532	163.6
[M]-	263.10642	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe