CID 95244

1,3-diphenethylurea

Structural Information

Molecular Formula

C₁₇H₂₀N₂O

SMILES

C1=CC=C(C=C1)CCNC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O/c20-17(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20)

InChIKey

VMQLWVGHPWFHEI-UHFFFAOYSA-N

Compound name

1,3-bis(2-phenylethyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 123
Patents: 268.15756 Da
Monoisotopic Mass: 3.3
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]+	269.16484	163.6
[M+Na]+	291.14678	167.2
[M-H]-	267.15028	169.3
[M+NH4]+	286.19138	178.7
[M+K]+	307.12072	162.9
[M+H-H2O]+	251.15482	154.9
[M+HCOO]-	313.15576	188.4
[M+CH3COO]-	327.17141	201.6
[M+Na-2H]-	289.13223	169.6
[M]+	268.15701	162.2
[M]-	268.15811	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe