CID 72889

1,3-dibenzylurea

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

C1=CC=C(C=C1)CNC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)

InChIKey

KATOLVAXCGIBLO-UHFFFAOYSA-N

Compound name

1,3-dibenzylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 506
Patents: 240.12627 Da
Monoisotopic Mass: 2.4
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]+	241.13355	157.1
[M+Na]+	263.11549	169.6
[M+NH4]+	258.16009	165.6
[M+K]+	279.08943	161.5
[M-H]-	239.11899	162.7
[M+Na-2H]-	261.10094	166.9
[M]+	240.12572	160.4
[M]-	240.12682	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe