CID 96863

36778-78-6

Structural Information

Molecular Formula

C₁₈H₁₉NO₃

SMILES

C1C2(COC(N2C(O1)C3=CC=CC=C3)C4=CC=CC=C4)CO

InChI

InChI=1S/C18H19NO3/c20-11-18-12-21-16(14-7-3-1-4-8-14)19(18)17(22-13-18)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2

InChIKey

RXJSYYBGXMOGCK-UHFFFAOYSA-N

Compound name

(3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 25
Patents: 297.1365 Da
Monoisotopic Mass: 2.0
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]+	298.143776	166.8
[M+Na]+	320.125718	173.7
[M-H]-	296.129224	176.1
[M+NH4]+	315.170323	183.4
[M+K]+	336.099658	171.5
[M+H-H2O]+	280.133760	159.8
[M+HCOO]-	342.134701	184.3
[M+CH3COO]-	356.150351	178.4
[M+Na-2H]-	318.111166	169.8
[M]+	297.13595142	166.2
[M]-	297.13704858	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe