CID 453928

2nhch3-10me-dboa-11one

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

CNC1=CC2=C(C=C1)OC3=CC=CC=C3N(C2=O)C

InChI

InChI=1S/C15H14N2O2/c1-16-10-7-8-13-11(9-10)15(18)17(2)12-5-3-4-6-14(12)19-13/h3-9,16H,1-2H3

InChIKey

HRODOTXSJWNYLL-UHFFFAOYSA-N

Compound name

5-methyl-8-(methylamino)benzo[b][1,4]benzoxazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 254.10553 Da
Monoisotopic Mass: 2.5
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]+	255.112806	154.9
[M+Na]+	277.094748	163.6
[M-H]-	253.098254	161.6
[M+NH4]+	272.139353	170.9
[M+K]+	293.068688	164.9
[M+H-H2O]+	237.102790	148.6
[M+HCOO]-	299.103731	174.7
[M+CH3COO]-	313.119381	167.3
[M+Na-2H]-	275.080196	163.1
[M]+	254.10498142	154.2
[M]-	254.10607858	154.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.