CID 453358

133627-36-8

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)C

InChI

InChI=1S/C15H14N2O/c1-16-12-8-4-3-7-11(12)15(18)17(2)14-10-6-5-9-13(14)16/h3-10H,1-2H3

InChIKey

LDLKWBJEWKXLON-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 238.11061 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]+	239.11789	151.8
[M+Na]+	261.09983	161.5
[M-H]-	237.10333	156.5
[M+NH4]+	256.14443	168.7
[M+K]+	277.07377	160.6
[M+H-H2O]+	221.10787	144.8
[M+HCOO]-	283.10881	170.0
[M+CH3COO]-	297.12446	164.0
[M+Na-2H]-	259.08528	158.9
[M]+	238.11006	150.2
[M]-	238.11116	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe