CID 477564

Refchem:907799

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

C1C2=NC3=CC=CC=C3N2C(O1)C4=CC=CC=C4

InChI

InChI=1S/C15H12N2O/c1-2-6-11(7-3-1)15-17-13-9-5-4-8-12(13)16-14(17)10-18-15/h1-9,15H,10H2

InChIKey

RJFYVDMRWLSYKM-UHFFFAOYSA-N

Compound name

1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.09496 Da
Monoisotopic Mass: 2.6
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]+	237.102236	149.5
[M+Na]+	259.084178	160.4
[M-H]-	235.087684	157.0
[M+NH4]+	254.128783	168.9
[M+K]+	275.058118	156.5
[M+H-H2O]+	219.092220	141.9
[M+HCOO]-	281.093161	171.5
[M+CH3COO]-	295.108811	163.3
[M+Na-2H]-	257.069626	155.8
[M]+	236.09441142	152.0
[M]-	236.09550858	152.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.