CID 214427

Brn 1222094

Structural Information

Molecular Formula

C₂₀H₂₀N₂O

SMILES

C1CCN(C1)CC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O/c1-3-9-16(10-4-1)19-20(17-11-5-2-6-12-17)23-18(21-19)15-22-13-7-8-14-22/h1-6,9-12H,7-8,13-15H2

InChIKey

RYLAISNDFIIJQB-UHFFFAOYSA-N

Compound name

4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 304.15756 Da
Monoisotopic Mass: 4.8
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]+	305.164836	170.7
[M+Na]+	327.146778	177.0
[M-H]-	303.150284	181.3
[M+NH4]+	322.191383	184.3
[M+K]+	343.120718	172.7
[M+H-H2O]+	287.154820	160.8
[M+HCOO]-	349.155761	191.1
[M+CH3COO]-	363.171411	181.9
[M+Na-2H]-	325.132226	171.3
[M]+	304.15701142	169.2
[M]-	304.15810858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe