CID 306576

121913-98-2

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CC(C1=CC=CC=C1)NC(=O)NC(C)(C)C

InChI

InChI=1S/C13H20N2O/c1-10(11-8-6-5-7-9-11)14-12(16)15-13(2,3)4/h5-10H,1-4H3,(H2,14,15,16)

InChIKey

GINDCBFYEUWKKJ-UHFFFAOYSA-N

Compound name

1-tert-butyl-3-(1-phenylethyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 220.15756 Da
Monoisotopic Mass: 2.2
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]+	221.16484	154.0
[M+Na]+	243.14678	163.1
[M+NH4]+	238.19138	161.2
[M+K]+	259.12072	158.2
[M-H]-	219.15028	155.9
[M+Na-2H]-	241.13223	159.6
[M]+	220.15701	155.6
[M]-	220.15811	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe