CID 453277

133626-71-8

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

CCN1C2=C(C=C(C=C2)O)N(C(=O)C3=C1N=CC=C3)C

InChI

InChI=1S/C15H15N3O2/c1-3-18-12-7-6-10(19)9-13(12)17(2)15(20)11-5-4-8-16-14(11)18/h4-9,19H,3H2,1-2H3

InChIKey

CMRKYQLFVGOABH-UHFFFAOYSA-N

Compound name

11-ethyl-8-hydroxy-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 269.11642 Da
Monoisotopic Mass: 2.0
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]+	270.123696	161.6
[M+Na]+	292.105638	171.7
[M-H]-	268.109144	164.0
[M+NH4]+	287.150243	175.5
[M+K]+	308.079578	170.8
[M+H-H2O]+	252.113680	153.4
[M+HCOO]-	314.114621	177.2
[M+CH3COO]-	328.130271	172.5
[M+Na-2H]-	290.091086	167.5
[M]+	269.11587142	160.6
[M]-	269.11696858	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.