CID 453945

2oh-7,10dime-dboa-11one

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)C=CC(=C3)O)C

InChI

InChI=1S/C15H13NO3/c1-9-3-5-12-14(7-9)19-13-6-4-10(17)8-11(13)15(18)16(12)2/h3-8,17H,1-2H3

InChIKey

DAQWPIAFUKEARE-UHFFFAOYSA-N

Compound name

8-hydroxy-2,5-dimethylbenzo[b][1,4]benzoxazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 255.08954 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]+	256.096816	153.3
[M+Na]+	278.078758	163.1
[M-H]-	254.082264	159.1
[M+NH4]+	273.123363	169.1
[M+K]+	294.052698	164.3
[M+H-H2O]+	238.086800	147.8
[M+HCOO]-	300.087741	170.8
[M+CH3COO]-	314.103391	165.8
[M+Na-2H]-	276.064206	160.1
[M]+	255.08899142	153.3
[M]-	255.09008858	153.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.