CID 15956907

Schembl8936630

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O₂

SMILES

C=C(CN1C2=C(N=CC=C2)OC3=CC=CC=C3C1=O)Cl

InChI

InChI=1S/C15H11ClN2O2/c1-10(16)9-18-12-6-4-8-17-14(12)20-13-7-3-2-5-11(13)15(18)19/h2-8H,1,9H2

InChIKey

AEJVTDHFROAWHC-UHFFFAOYSA-N

Compound name

5-(2-chloroprop-2-enyl)pyrido[2,3-b][1,4]benzoxazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 286.0509 Da
Monoisotopic Mass: 2.9
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]+	287.058176	158.8
[M+Na]+	309.040118	169.1
[M-H]-	285.043624	163.4
[M+NH4]+	304.084723	173.0
[M+K]+	325.014058	168.3
[M+H-H2O]+	269.048160	151.3
[M+HCOO]-	331.049101	171.3
[M+CH3COO]-	345.064751	170.4
[M+Na-2H]-	307.025566	165.8
[M]+	286.05035142	159.5
[M]-	286.05144858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe