CID 15956911

Schembl8936588

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

CCN1C2=C(N=CC=C2)OC3=C(C1=O)C=CC(=C3)C

InChI

InChI=1S/C15H14N2O2/c1-3-17-12-5-4-8-16-14(12)19-13-9-10(2)6-7-11(13)15(17)18/h4-9H,3H2,1-2H3

InChIKey

YMJXGQPKHLNMQT-UHFFFAOYSA-N

Compound name

5-ethyl-9-methylpyrido[2,3-b][1,4]benzoxazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.10553 Da
Monoisotopic Mass: 2.5
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]+	255.112806	154.9
[M+Na]+	277.094748	164.6
[M-H]-	253.098254	160.1
[M+NH4]+	272.139353	169.8
[M+K]+	293.068688	165.3
[M+H-H2O]+	237.102790	147.5
[M+HCOO]-	299.103731	172.4
[M+CH3COO]-	313.119381	167.0
[M+Na-2H]-	275.080196	162.5
[M]+	254.10498142	155.2
[M]-	254.10607858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe