CID 3144348

68857-67-0

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1C(COCC2=NC3=CC=CC=C3N21)O

InChI

InChI=1S/C11H12N2O2/c14-8-5-13-10-4-2-1-3-9(10)12-11(13)7-15-6-8/h1-4,8,14H,5-7H2

InChIKey

XRPGEEYBQKPKSC-UHFFFAOYSA-N

Compound name

1,3,4,5-tetrahydro-[1,4]oxazepino[4,3-a]benzimidazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 0.2
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]+	205.09715	139.1
[M+Na]+	227.07909	147.9
[M-H]-	203.08259	143.1
[M+NH4]+	222.12369	156.7
[M+K]+	243.05303	148.5
[M+H-H2O]+	187.08713	132.8
[M+HCOO]-	249.08807	157.1
[M+CH3COO]-	263.10372	151.8
[M+Na-2H]-	225.06454	147.0
[M]+	204.08932	137.1
[M]-	204.09042	137.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.