CID 23450115

1170061-54-7

Structural Information

Molecular Formula

C₁₃H₁₉N₃O

SMILES

C1CCNC(C1)CNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H19N3O/c17-13(16-11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12/h1-3,6-7,12,14H,4-5,8-10H2,(H2,15,16,17)

InChIKey

GKRVWSKFPICTKX-UHFFFAOYSA-N

Compound name

1-phenyl-3-(piperidin-2-ylmethyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 233.15282 Da
Monoisotopic Mass: 1.4
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]+	234.160096	153.4
[M+Na]+	256.142038	155.2
[M-H]-	232.145544	155.8
[M+NH4]+	251.186643	167.7
[M+K]+	272.115978	151.5
[M+H-H2O]+	216.150080	144.8
[M+HCOO]-	278.151021	172.5
[M+CH3COO]-	292.166671	190.8
[M+Na-2H]-	254.127486	158.3
[M]+	233.15227142	145.0
[M]-	233.15336858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe