CID 11646537

Chembl203086

Structural Information

Molecular Formula

C₂₀H₁₉N₅O₃

SMILES

C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC=C3NC(=O)N

InChI

InChI=1S/C20H19N5O3/c21-19(26)23-15-9-4-5-10-16(15)24-20(27)25-18-17(11-6-12-22-18)28-13-14-7-2-1-3-8-14/h1-12H,13H2,(H3,21,23,26)(H2,22,24,25,27)

InChIKey

OYSRKXLVHHJWSH-UHFFFAOYSA-N

Compound name

1-[2-(carbamoylamino)phenyl]-3-(3-phenylmethoxy-2-pyridinyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 377.1488 Da
Monoisotopic Mass: 1.8
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]+	378.156076	185.6
[M+Na]+	400.138018	188.8
[M-H]-	376.141524	193.2
[M+NH4]+	395.182623	193.5
[M+K]+	416.111958	184.7
[M+H-H2O]+	360.146060	174.2
[M+HCOO]-	422.147001	210.3
[M+CH3COO]-	436.162651	225.7
[M+Na-2H]-	398.123466	190.9
[M]+	377.14825142	183.0
[M]-	377.14934858	183.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.