CID 453359

133627-37-9

Structural Information

Molecular Formula

C₁₆H₁₆N₂O

SMILES

CCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)C

InChI

InChI=1S/C16H16N2O/c1-3-18-13-9-5-4-8-12(13)16(19)17(2)14-10-6-7-11-15(14)18/h4-11H,3H2,1-2H3

InChIKey

IUMRYNUBZSCOQG-UHFFFAOYSA-N

Compound name

11-ethyl-5-methylbenzo[b][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.12627 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]+	253.133546	156.3
[M+Na]+	275.115488	165.6
[M-H]-	251.118994	160.8
[M+NH4]+	270.160093	172.6
[M+K]+	291.089428	164.5
[M+H-H2O]+	235.123530	149.1
[M+HCOO]-	297.124471	174.2
[M+CH3COO]-	311.140121	168.1
[M+Na-2H]-	273.100936	162.9
[M]+	252.12572142	155.1
[M]-	252.12681858	155.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.