CID 214410

2-((butylamino)methyl)-4,5-diphenyloxazole monohydrochloride

Structural Information

Molecular Formula

C₂₀H₂₂N₂O

SMILES

CCCCNCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O/c1-2-3-14-21-15-18-22-19(16-10-6-4-7-11-16)20(23-18)17-12-8-5-9-13-17/h4-13,21H,2-3,14-15H2,1H3

InChIKey

VMOMRCBLLQRGKT-UHFFFAOYSA-N

Compound name

N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 306.17322 Da
Monoisotopic Mass: 5.1
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]+	307.180496	174.0
[M+Na]+	329.162438	180.4
[M-H]-	305.165944	182.8
[M+NH4]+	324.207043	187.4
[M+K]+	345.136378	175.8
[M+H-H2O]+	289.170480	164.4
[M+HCOO]-	351.171421	197.5
[M+CH3COO]-	365.187071	185.2
[M+Na-2H]-	327.147886	178.2
[M]+	306.17267142	175.9
[M]-	306.17376858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe