CID 15956909

Schembl8936648

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C16H14N2O2/c1-2-3-11-18-13-8-6-10-17-15(13)20-14-9-5-4-7-12(14)16(18)19/h2-10H,11H2,1H3/b3-2+

InChIKey

OEMXDSFSCPQHFB-NSCUHMNNSA-N

Compound name

5-[(E)-but-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: 2.7
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	158.4
[M+Na]+	289.094748	167.2
[M-H]-	265.098254	163.2
[M+NH4]+	284.139353	172.6
[M+K]+	305.068688	167.0
[M+H-H2O]+	249.102790	150.8
[M+HCOO]-	311.103731	175.8
[M+CH3COO]-	325.119381	169.9
[M+Na-2H]-	287.080196	166.2
[M]+	266.10498142	157.9
[M]-	266.10607858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe