CID 15956908

Schembl8936730

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C16H14N2O2/c1-11(2)10-18-13-7-5-9-17-15(13)20-14-8-4-3-6-12(14)16(18)19/h3-9H,1,10H2,2H3

InChIKey

GZXRLEILRNLJOZ-UHFFFAOYSA-N

Compound name

5-(2-methylprop-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: 266.10553 Da
Monoisotopic Mass: 3.1
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]+	267.112806	157.6
[M+Na]+	289.094748	166.0
[M-H]-	265.098254	162.4
[M+NH4]+	284.139353	171.6
[M+K]+	305.068688	166.4
[M+H-H2O]+	249.102790	150.1
[M+HCOO]-	311.103731	174.0
[M+CH3COO]-	325.119381	169.0
[M+Na-2H]-	287.080196	164.4
[M]+	266.10498142	156.6
[M]-	266.10607858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe