CID 15956903

Schembl8936579

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O₂

SMILES

C=CCN1C2=C(N=C(C=C2)Cl)OC3=CC=CC=C3C1=O

InChI

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

InChIKey

PTHPRJVYVOPNIM-UHFFFAOYSA-N

Compound name

2-chloro-5-prop-2-enylpyrido[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: 3.4
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	160.1
[M+Na]+	309.040118	171.5
[M-H]-	285.043624	164.9
[M+NH4]+	304.084723	174.7
[M+K]+	325.014058	170.3
[M+H-H2O]+	269.048160	152.5
[M+HCOO]-	331.049101	173.5
[M+CH3COO]-	345.064751	172.0
[M+Na-2H]-	307.025566	167.3
[M]+	286.05035142	161.6
[M]-	286.05144858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe