CID 3614192

97627-19-5

Structural Information

Molecular Formula

C₁₄H₁₅N₃O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC2=CN=CC=C2

InChI

InChI=1S/C14H15N3O/c1-10-5-3-6-11(2)13(10)17-14(18)16-12-7-4-8-15-9-12/h3-9H,1-2H3,(H2,16,17,18)

InChIKey

PTLVKCZOPNVJOD-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylphenyl)-3-pyridin-3-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 241.1215 Da
Monoisotopic Mass: 2.5
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]+	242.12878	155.1
[M+Na]+	264.11072	162.0
[M-H]-	240.11422	160.8
[M+NH4]+	259.15532	170.7
[M+K]+	280.08466	158.2
[M+H-H2O]+	224.11876	146.5
[M+HCOO]-	286.11970	179.7
[M+CH3COO]-	300.13535	197.5
[M+Na-2H]-	262.09617	161.4
[M]+	241.12095	154.0
[M]-	241.12205	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe