CID 3046353

Brn 1083906

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1C(OC2=NC3=CC=CC=C3N21)COC4=CC=CC=C4

InChI

InChI=1S/C16H14N2O2/c1-2-6-12(7-3-1)19-11-13-10-18-15-9-5-4-8-14(15)17-16(18)20-13/h1-9,13H,10-11H2

InChIKey

NYUSDMBONIRLRO-UHFFFAOYSA-N

Compound name

2-(phenoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.10553 Da
Monoisotopic Mass: 3.2
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]+	267.112806	157.1
[M+Na]+	289.094748	167.3
[M-H]-	265.098254	164.4
[M+NH4]+	284.139353	175.1
[M+K]+	305.068688	163.8
[M+H-H2O]+	249.102790	149.2
[M+HCOO]-	311.103731	178.8
[M+CH3COO]-	325.119381	170.3
[M+Na-2H]-	287.080196	163.0
[M]+	266.10498142	161.2
[M]-	266.10607858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe