CID 24820187

136337-67-2

Structural Information

Molecular Formula

C₂₃H₃₂N₂O₂

SMILES

CC(C)C1=CC(=CC(=C1NC(=O)NC(C)(C)C)C(C)C)OC2=CC=CC=C2

InChI

InChI=1S/C23H32N2O2/c1-15(2)19-13-18(27-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(26)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,26)

InChIKey

WLIVADBOJWNAPY-UHFFFAOYSA-N

Compound name

1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 368.24637 Da
Monoisotopic Mass: 5.4
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]+	369.25365	194.0
[M+Na]+	391.23559	197.6
[M-H]-	367.23909	200.3
[M+NH4]+	386.28019	206.0
[M+K]+	407.20953	194.7
[M+H-H2O]+	351.24363	185.6
[M+HCOO]-	413.24457	213.4
[M+CH3COO]-	427.26022	226.8
[M+Na-2H]-	389.22104	193.2
[M]+	368.24582	195.6
[M]-	368.24692	195.6

Literature stripe

literature stripe

Patent stripe

patents stripe