CID 24052612

2-phenyl-6h-oxazolo[4,5-e]indole

Structural Information

Molecular Formula

C₁₅H₁₀N₂O

SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC4=C3C=CN4

InChI

InChI=1S/C15H10N2O/c1-2-4-10(5-3-1)15-17-14-11-8-9-16-12(11)6-7-13(14)18-15/h1-9,16H

InChIKey

JMZGXBAJENINLV-UHFFFAOYSA-N

Compound name

2-phenyl-6H-pyrrolo[3,2-e][1,3]benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 234.07932 Da
Monoisotopic Mass: 3.6
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]+	235.086596	147.5
[M+Na]+	257.068538	160.1
[M-H]-	233.072044	154.6
[M+NH4]+	252.113143	166.6
[M+K]+	273.042478	155.1
[M+H-H2O]+	217.076580	140.5
[M+HCOO]-	279.077521	170.9
[M+CH3COO]-	293.093171	161.9
[M+Na-2H]-	255.053986	155.6
[M]+	234.07877142	151.2
[M]-	234.07986858	151.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.