CID 213912

27271-35-8

Structural Information

Molecular Formula

C₁₆H₁₃NO

SMILES

C1C2C(C3=CC=CC=C31)ON=C2C4=CC=CC=C4

InChI

InChI=1S/C16H13NO/c1-2-6-11(7-3-1)15-14-10-12-8-4-5-9-13(12)16(14)18-17-15/h1-9,14,16H,10H2

InChIKey

HAKVIJGZWVSZOJ-UHFFFAOYSA-N

Compound name

3-phenyl-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.09972 Da
Monoisotopic Mass: 3.4
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]+	236.106996	150.6
[M+Na]+	258.088938	160.1
[M-H]-	234.092444	159.0
[M+NH4]+	253.133543	171.4
[M+K]+	274.062878	156.3
[M+H-H2O]+	218.096980	144.0
[M+HCOO]-	280.097921	172.2
[M+CH3COO]-	294.113571	164.3
[M+Na-2H]-	256.074386	155.8
[M]+	235.09917142	151.5
[M]-	235.10026858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe