CID 5272636

2-(2-phenylchroman-6-yl)-4,5-dihydrooxazole

Structural Information

Molecular Formula

C₁₈H₁₇NO₂

SMILES

C1CC2=C(C=CC(=C2)C3=NCCO3)OC1C4=CC=CC=C4

InChI

InChI=1S/C18H17NO2/c1-2-4-13(5-3-1)16-8-6-14-12-15(7-9-17(14)21-16)18-19-10-11-20-18/h1-5,7,9,12,16H,6,8,10-11H2

InChIKey

RLRBJAQYKPIUKS-UHFFFAOYSA-N

Compound name

2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.12592 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]+	280.133196	163.0
[M+Na]+	302.115138	169.6
[M-H]-	278.118644	172.9
[M+NH4]+	297.159743	177.0
[M+K]+	318.089078	167.1
[M+H-H2O]+	262.123180	154.2
[M+HCOO]-	324.124121	180.8
[M+CH3COO]-	338.139771	174.6
[M+Na-2H]-	300.100586	167.9
[M]+	279.12537142	161.3
[M]-	279.12646858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.