CID 15956910

Schembl8936638

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC1=C2C(=CC=C1)C(=O)N(C3=C(O2)N=CC=C3)CC=C

InChI

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

InChIKey

LYUMXSVOPQWXNK-UHFFFAOYSA-N

Compound name

10-methyl-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: 266.10553 Da
Monoisotopic Mass: 2.8
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	158.5
[M+Na]+	289.094748	168.0
[M-H]-	265.098254	163.6
[M+NH4]+	284.139353	172.9
[M+K]+	305.068688	167.9
[M+H-H2O]+	249.102790	151.0
[M+HCOO]-	311.103731	175.8
[M+CH3COO]-	325.119381	170.2
[M+Na-2H]-	287.080196	165.6
[M]+	266.10498142	158.4
[M]-	266.10607858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe