CID 2732087

1-benzyl-1-isopropyl-3-phenylurea

Structural Information

Molecular Formula

C₁₇H₂₀N₂O

SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O/c1-14(2)19(13-15-9-5-3-6-10-15)17(20)18-16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20)

InChIKey

DSFXUNORIKQEKV-UHFFFAOYSA-N

Compound name

1-benzyl-3-phenyl-1-propan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 268.15756 Da
Monoisotopic Mass: 3.4
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]+	269.164836	165.0
[M+Na]+	291.146778	168.5
[M-H]-	267.150284	172.3
[M+NH4]+	286.191383	180.7
[M+K]+	307.120718	166.2
[M+H-H2O]+	251.154820	156.3
[M+HCOO]-	313.155761	189.3
[M+CH3COO]-	327.171411	205.9
[M+Na-2H]-	289.132226	169.0
[M]+	268.15701142	164.2
[M]-	268.15810858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe